SCHEMBL21376372

SCHEMBL21376372

Cc1cc(OC(C)C)cc(C)c1C(=O)N[C@@H](CNC(=O)NCc1ccncc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.50
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ ITGB1 P05556 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GCK P35557 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
SCHEMBL21358738 0.91 L3MBTL1 (0.48) ITGB1SMN1; SMN2L3MBTL1ITGA4
SCHEMBL21358736 0.91 L3MBTL1 (0.48) ITGB1SMN1; SMN2L3MBTL1ITGA4
SCHEMBL21376641 0.89 ITGB1 (0.42) NAMPTITGB1ITGB3ITGAVITGA2B
SCHEMBL21376375 0.89 POLB (0.54) NAMPTSMN1; SMN2EPHX1ALDH1A1LMNA
SCHEMBL21376637 0.88 PPID (0.45) NAMPTITGB1ITGB3ITGAVITGA2B
SCHEMBL21376638 0.88 ALDH1A1 (0.46) ITGB1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL21376639 0.83 OPRM1 (0.43) ITGB1ALDH1A1LMNAL3MBTL1ITGA4
SCHEMBL21376373 0.82 HPGD (0.53) SMN1; SMN2GAAALDH1A1LMNAHTT
SCHEMBL21358730 0.80 PTPN1 (0.54) ITGB1SMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL21358729 0.80 PTPN1 (0.54) ITGB1SMN1; SMN2GAAALDH1A1L3MBTL1

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 NAMPT 755/4885ROCK2 435/4885ROCK1 614/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 NAMPT 755/4885ROCK2 435/4885ROCK1 614/4885

“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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