SCHEMBL21358738

SCHEMBL21358738

Cc1cc(OC(C)C)cc(C)c1C(=O)NC(CNC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ ITGB1 P05556 7/20 0.44
▸ ITGA2 P17301 6/20 0.44
▸ ITGA4 P13612 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 2/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ PPID Q08752 1/20 0.41

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
SCHEMBL21358736 1.00 L3MBTL1 (0.48) L3MBTL1ITGB1ITGA2ITGA4NPC1
SCHEMBL21376641 0.92 ITGB1 (0.42) L3MBTL1ITGB1ITGA2ITGA4NPC1
SCHEMBL21376372 0.91 NAMPT (0.50) L3MBTL1ITGB1ITGA4SMN1; SMN2
SCHEMBL21376638 0.91 ALDH1A1 (0.46) L3MBTL1ITGB1ITGA4NPC1RAB9A
SCHEMBL21376637 0.91 PPID (0.45) L3MBTL1ITGB1ITGA2ITGA4NPC1
SCHEMBL21376639 0.90 OPRM1 (0.43) L3MBTL1ITGB1ITGA4MAPT
SCHEMBL21376375 0.89 POLB (0.54) SMN1; SMN2
SCHEMBL21358730 0.89 PTPN1 (0.54) L3MBTL1ITGB1ITGA2ITGA4NPC1
SCHEMBL21358729 0.89 PTPN1 (0.54) L3MBTL1ITGB1ITGA2ITGA4NPC1
SCHEMBL21358870 0.87 L3MBTL1 (0.54) L3MBTL1ITGB1ITGA2ITGA4SMN1; 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 4 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
EP-3765005-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE The Regents of the University of California (US) 2021-01-20 — — EP 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 L3MBTL1 1683/4885ITGB1 1/4885ITGA2 3/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 L3MBTL1 1683/4885ITGB1 1/4885ITGA2 3/4885

“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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