SCHEMBL15835844

SCHEMBL15835844

CC(C)(C)n1cc(-c2cccc(F)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.47
▸ CHRNB4 P30926 3/20 0.47
▸ CHRNA3 P32297 3/20 0.47
▸ CHRNA7 P36544 3/20 0.47
▸ CHRNA4 P43681 3/20 0.47
▸ F2RL3 Q96RI0 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ LGALS3 P17931 5/20 0.41
▸ LGALS1 P09382 3/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21991877 0.87 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13036563 0.81 CYP19A1 (0.47) CA12CA9KMT2A
SCHEMBL2742892 0.80 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20812240 0.80 PTGS2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL26156421 0.78 CYP19A1 (0.45) KDM4E
SCHEMBL27009243 0.77 F2RL3 (0.43) F2RL3IDO1KDM4EMEN1MAPT
SCHEMBL3593842 0.77 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22868183 0.76 ROCK2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22050888 0.76 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14212103 0.76 GPR55 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 — — US disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 — — US disclosed
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 — — US disclosed
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 — — US disclosed
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 — — US disclosed
US-11780873-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2023-10-10 — — US disclosed
US-11780873-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2023-10-10 — — US disclosed
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING GLYCOMIMETICS, INC. (US) 2023-07-13 — — US disclosed
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 — — US disclosed
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 — — US disclosed
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 — — US disclosed
US-20220175808-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-06-09 — — US disclosed
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 — — US disclosed
US-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2021-10-21 — — US disclosed
US-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 GLYCOMIMETICS, INC. (US) 2020-12-24 — — US disclosed
US-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker GLYCOMIMETICS, INC. (US) 2020-06-04 — — US disclosed
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-04-30 — — US disclosed
US-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2019-08-01 — — US disclosed
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 — — US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220175808-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP CHRNB2 1942/4885CHRNB4 2151/4885CHRNA3 1611/4885
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP CHRNB2 2245/4885CHRNB4 2336/4885CHRNA3 1690/4885
US-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 LGALS3, LGALS3BP, LGALS1 CHRNB2 3160/4885CHRNB4 3524/4885CHRNA3 1900/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG CHRNB2 3011/4885CHRNB4 3646/4885CHRNA3 3750/4885
US-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG CHRNB2 2669/4885CHRNB4 2852/4885CHRNA3 2495/4885
US-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG CHRNB2 2669/4885CHRNB4 2852/4885CHRNA3 2495/4885
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING SELE, SELPLG, MCL1 CHRNB2 4248/4885CHRNB4 4622/4885CHRNA3 3874/4885
US-20230364277-A1 E-SELECTIN TARGETING AGENTS SELE, SELPLG, SELP CHRNB2 4236/4885CHRNB4 4420/4885CHRNA3 4642/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG CHRNB2 3011/4885CHRNB4 3646/4885CHRNA3 3750/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 CHRNB2 3411/4885CHRNB4 3779/4885CHRNA3 1483/4885
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS FLT3, SELE, SELL CHRNB2 4348/4885CHRNB4 4329/4885CHRNA3 4506/4885
US-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker SELE, SELP, SELPLG CHRNB2 3823/4885CHRNB4 3998/4885CHRNA3 3786/4885
US-11780873-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG CHRNB2 2815/4885CHRNB4 3101/4885CHRNA3 2771/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG CHRNB2 3524/4885CHRNB4 3891/4885CHRNA3 3754/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP CHRNB2 1942/4885CHRNB4 2151/4885CHRNA3 1611/4885
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG CHRNB2 2669/4885CHRNB4 2852/4885CHRNA3 2495/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback