SCHEMBL21992376

SCHEMBL21992376

CC(C)(C)C(=O)NCCNC(=O)NCCNC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
EPHX1 P07099 6/20 0.41
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA3 P07451 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TP53 P04637 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL16316312 0.92 POLB (0.50) POLBEPHX1KDM4EMAPTALDH1A1
SCHEMBL25446979 0.85 KMT2A (0.38) POLBEPHX1KDM4CKDM4EMAPT
SCHEMBL10223283 0.82 POLB (0.44) POLBEPHX1KDM4EMAPTALDH1A1
SCHEMBL8240706 0.82 KDM4E (0.50) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9355210 0.81 POLB (0.57) POLBEPHX1KDM4EMAPTALDH1A1
SCHEMBL18622113 0.81 POLB (0.57) POLBEPHX1KDM4EMAPTALDH1A1
SCHEMBL5545971 0.80 POLB (0.43) POLBEPHX1KDM4EMAPTALDH1A1
SCHEMBL605199 0.79 POLB (0.46) POLBEPHX1KDM4EMAPTALDH1A1
SCHEMBL2293893 0.79 KDM4C (0.48) POLBEPHX1KDM4CKDM4EMAPT
SCHEMBL605200 0.79 POLB (0.46) POLBKDM4EMAPTALDH1A1SMN1; SMN2

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 12 patents. 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-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-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-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 US disclosed
WO-2022061168-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2022-03-24 WO 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-11072625-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2021-07-27 US disclosed
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-04-30 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 (9 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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP POLB 4177/4885EPHX1 405/4885KDM4C 4229/4885
US-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG POLB 3988/4885EPHX1 214/4885KDM4C 4602/4885
US-11072625-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG POLB 4162/4885EPHX1 178/4885KDM4C 4403/4885
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING SELE, SELPLG, MCL1 POLB 2970/4885EPHX1 194/4885KDM4C 1839/4885
US-20230364277-A1 E-SELECTIN TARGETING AGENTS SELE, SELPLG, SELP POLB 4584/4885EPHX1 239/4885KDM4C 4782/4885
US-11780873-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG POLB 4162/4885EPHX1 178/4885KDM4C 4403/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG POLB 4646/4885EPHX1 944/4885KDM4C 4418/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP POLB 4018/4885EPHX1 236/4885KDM4C 4728/4885
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG POLB 3988/4885EPHX1 214/4885KDM4C 4602/4885

“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.