SCHEMBL21376641

SCHEMBL21376641

Cc1cc(OC(C)C)cc(C)c1C(=O)N[C@@H](CNC(=O)NCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 5/20 0.42
▸ ITGA4 P13612 3/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ITGB3 P05106 3/20 0.39
▸ ITGAV P06756 3/20 0.39
▸ ITGA5 P08648 2/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ ITGA2 P17301 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALPL P05186 1/20 0.37

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
SCHEMBL21358738 0.92 L3MBTL1 (0.48) ITGB1ITGA4NPC1RAB9AL3MBTL1
SCHEMBL21358736 0.92 L3MBTL1 (0.48) ITGB1ITGA4NPC1RAB9AL3MBTL1
SCHEMBL21376637 0.91 PPID (0.45) ITGB1ITGA4NPC1RAB9AITGB3
SCHEMBL21376638 0.91 ALDH1A1 (0.46) ITGB1ITGA4NPC1RAB9AALDH1A1
SCHEMBL21376372 0.89 NAMPT (0.50) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL21376639 0.84 OPRM1 (0.43) ITGB1ITGA4ALDH1A1LMNAL3MBTL1
SCHEMBL21376375 0.84 POLB (0.54) ALDH1A1LMNANAMPTMEN1KMT2A
SCHEMBL21376373 0.81 HPGD (0.53) RAB9AALDH1A1LMNAKMT2A
SCHEMBL21358730 0.81 PTPN1 (0.54) ITGB1ITGA4NPC1RAB9AALDH1A1
SCHEMBL21358729 0.81 PTPN1 (0.54) ITGB1ITGA4NPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 — — US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 — — US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 — — WO 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 (2 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 ITGB1 1/4885ITGA4 15/4885NPC1 2243/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 ITGB1 1/4885ITGA4 15/4885NPC1 2243/4885

“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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