SCHEMBL13036563

SCHEMBL13036563

CC(C)(C)n1cc(-c2ccccc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ BCHE P06276 1/20 0.45
▸ PTGS2 P35354 2/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ GGPS1 O95749 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ EPHB4 P54760 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ OGT O15294 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DPP4 P27487 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
SCHEMBL26156421 0.96 CYP19A1 (0.45) CYP19A1NPC1RAB9ABCHEPTGS2
SCHEMBL20995389 0.85 CYP19A1 (0.47) CYP19A1NPC1RAB9ABCHEPTGS2
SCHEMBL25494292 0.83 FLT3 (0.46) NPC1RAB9APTGS2PTGS1CA12
SCHEMBL20812240 0.83 PTGS2 (0.47) NPC1RAB9APTGS2PTGS1CA1
SCHEMBL20995378 0.83 CYP19A1 (0.46) CYP19A1NPC1RAB9ABCHEPTGS2
SCHEMBL22821490 0.82 CYP19A1 (0.46) CYP19A1NPC1RAB9ABCHEPTGS2
SCHEMBL21470628 0.81 MIF (0.51) LMNAEPHB4KDRDPP4TEK
SCHEMBL15835844 0.81 CHRNB2 (0.47) CA12CA9KMT2A
SCHEMBL22530587 0.80 P2RY14 (0.49) NPC1RAB9A
SCHEMBL14212096 0.80 STIM1 (0.51) NPC1RAB9ATSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 — — US disclosed
US-20230364277-A1 E-SELECTIN TARGETING AGENTS 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-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-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 GLYCOMIMETICS, INC. (US) 2020-12-24 — — US disclosed
US-20200282016-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2020-09-10 — — 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-9670247-B2 Contraceptive agents THE UNIVERSITY OF KANSAS (US) 2017-06-06 — — US disclosed
US-9670247-B2 Contraceptive agents THE UNIVERSITY OF KANSAS (US) 2017-06-06 — — US disclosed
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 — — US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 — — 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 (12 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-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 LGALS3, LGALS3BP, LGALS1 CYP19A1 4874/4885NPC1 2287/4885RAB9A 2221/4885
US-20200282016-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 CYP19A1 1564/4885NPC1 893/4885RAB9A 549/4885
US-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG CYP19A1 4694/4885NPC1 1616/4885RAB9A 2792/4885
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING SELE, SELPLG, MCL1 CYP19A1 4504/4885NPC1 3495/4885RAB9A 3687/4885
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD CYP19A1 1141/4885NPC1 1519/4885RAB9A 2969/4885
US-20230364277-A1 E-SELECTIN TARGETING AGENTS SELE, SELPLG, SELP CYP19A1 4768/4885NPC1 1147/4885RAB9A 1624/4885
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS FLT3, SELE, SELL CYP19A1 3803/4885NPC1 3908/4885RAB9A 2773/4885
US-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker SELE, SELP, SELPLG CYP19A1 3099/4885NPC1 3845/4885RAB9A 2678/4885
US-11780873-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG CYP19A1 4399/4885NPC1 1052/4885RAB9A 2841/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP CYP19A1 4452/4885NPC1 1257/4885RAB9A 3759/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 CYP19A1 899/4885NPC1 4239/4885RAB9A 4789/4885
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG CYP19A1 4694/4885NPC1 1616/4885RAB9A 2792/4885

“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.

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