SCHEMBL21376639

SCHEMBL21376639

Cc1cc(OC(C)C)cc(C)c1C(=O)N[C@@H](CNC(=O)NCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ APEX1 P27695 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ CTSV O60911 4/20 0.40
▸ CTSL P07711 4/20 0.40
▸ CTSS P25774 4/20 0.40
▸ CTSK P43235 3/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MASP2 O00187 1/20 0.39
▸ CTSB P07858 2/20 0.39
▸ LMNA P02545 1/20 0.39

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 0.90 L3MBTL1 (0.48) L3MBTL1ITGB1ITGA4MAPT
SCHEMBL21358738 0.90 L3MBTL1 (0.48) L3MBTL1ITGB1ITGA4MAPT
SCHEMBL21376641 0.84 ITGB1 (0.42) L3MBTL1ITGB1ITGA4FOLH1ALDH1A1
SCHEMBL21376375 0.84 POLB (0.54) ALDH1A1MEN1KMT2ALMNA
SCHEMBL21376634 0.84 NPC1 (0.46) L3MBTL1ITGB1ITGA4ALDH1A1MAPT
SCHEMBL21376372 0.83 NAMPT (0.50) L3MBTL1ITGB1ITGA4ALDH1A1KMT2A
SCHEMBL21376637 0.83 PPID (0.45) L3MBTL1ITGB1ITGA4ALDH1A1LMNA
SCHEMBL21376638 0.83 ALDH1A1 (0.46) L3MBTL1ITGB1ITGA4ALDH1A1MEN1
SCHEMBL21376628 0.82 ITGB1 (0.49) OPRM1OPRL1SLC2A1APEX1ITGB1
SCHEMBL21358730 0.80 PTPN1 (0.54) L3MBTL1ITGB1ITGA4ALDH1A1MAPT

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 OPRM1 962/4885OPRL1 1161/4885L3MBTL1 1683/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 OPRM1 962/4885OPRL1 1161/4885L3MBTL1 1683/4885

“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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