SCHEMBL3868088

SCHEMBL3868088

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.41
MT-CO2 P00403 1/20 0.39
SYK P43405 1/20 0.38
CTSL P07711 2/20 0.37
ITGB1 P05556 3/20 0.37
ITGA4 P13612 1/20 0.37
ITGA2 P17301 1/20 0.37
ITGB7 P26010 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PPARA Q07869 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ITGA5 P08648 1/20 0.36
ACE P12821 1/20 0.36
POLB P06746 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL3867450 0.95 ITGAL (0.45) ITGALMT-CO2SYKCTSLITGB1
SCHEMBL3867233 0.94 L3MBTL1 (0.42) SYKCTSLITGB1L3MBTL1HDAC1
SCHEMBL3866036 0.88 ITGAL (0.46) ITGALMT-CO2ITGB1ITGA4ITGA2
SCHEMBL21940272 0.87 SYK (0.40) ITGALMT-CO2SYKCTSLHDAC1
SCHEMBL3866192 0.87 MEN1 (0.38) CTSLITGB1ITGA4ITGA2ITGB7
SCHEMBL3867932 0.85 ITGAL (0.44) ITGALMT-CO2ITGB1ITGA4ITGA2
SCHEMBL3868459 0.84 MT-CO2 (0.43) ITGALMT-CO2ITGB1ITGA4ITGA2
SCHEMBL3866981 0.83 ITGAV (0.48) ITGALMT-CO2ITGB1ITGA4ITGA2
SCHEMBL3868447 0.83 ITGAL (0.62) ITGALITGB1ITGA4ITGA2ITGB7
SCHEMBL3871439 0.81 ITGAL (0.51) ITGALMT-CO2ITGB1ITGA4ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1844/4885SYK 4784/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A ITGAL 2323/4885MT-CO2 1844/4885SYK 4784/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAL 2399/4885MT-CO2 1431/4885SYK 4774/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAL 2399/4885MT-CO2 1431/4885SYK 4774/4885

“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.