SCHEMBL3867932

SCHEMBL3867932

Cc1cc(C(=O)NCc2cccc(O)c2)cc(Cl)c1C(=O)N[C@@H](CNC(=O)c1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 4/20 0.44
MT-CO2 P00403 1/20 0.40
ITGB1 P05556 10/20 0.40
ITGA4 P13612 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ITGA2 P17301 1/20 0.38
ITGB7 P26010 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ITGAV P06756 6/20 0.38
EPHX2 P34913 1/20 0.38
ITGB2 P05107 3/20 0.38
ICAM1 P05362 3/20 0.38
ITGA5 P08648 3/20 0.38
ITGB8 P26012 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 0.37
FOLH1 Q04609 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
SCHEMBL3868227 0.94 L3MBTL1 (0.44) ITGALMT-CO2ITGB1L3MBTL1ROCK2
SCHEMBL3869362 0.94 ITGAL (0.49) ITGALMT-CO2ITGB1ITGA4ROCK2
SCHEMBL3866036 0.92 ITGAL (0.46) ITGALMT-CO2ITGB1ITGA4L3MBTL1
SCHEMBL3876678 0.88 ITGAL (0.48) ITGALITGB1ITGA4ROCK2ROCK1
SCHEMBL3872877 0.88 ITGB1 (0.43) ITGALMT-CO2ITGB1ITGA4ITGB7
SCHEMBL13940928 0.88 ITGB1 (0.43) ITGALMT-CO2ITGB1ITGA4ITGB7
SCHEMBL3868434 0.88 PRSS1 (0.40) ITGB1ITGA4L3MBTL1ITGA2ITGB7
SCHEMBL3866981 0.87 ITGAV (0.48) ITGALMT-CO2ITGB1ITGA4L3MBTL1
SCHEMBL3868447 0.86 ITGAL (0.62) ITGALITGB1ITGA4L3MBTL1ITGA2
SCHEMBL3868459 0.86 MT-CO2 (0.43) ITGALMT-CO2ITGB1ITGA4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US claimed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US disclosed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 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 (4 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-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A ITGAL 2323/4885MT-CO2 1844/4885ITGB1 1498/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A ITGAL 2323/4885MT-CO2 1844/4885ITGB1 1498/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAL 2399/4885MT-CO2 1431/4885ITGB1 1894/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAL 2399/4885MT-CO2 1431/4885ITGB1 1894/4885

“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.