SCHEMBL3867943

SCHEMBL3867943

Cc1cc(C(=O)NCc2cccc(O)c2)cc(C)c1C(=O)N[C@@H](CNC(=O)c1ccsc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
ITGAL P20701 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGA5 P08648 1/20 0.38
IDO1 P14902 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MT-CO2 P00403 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
SCHEMBL3866981 0.94 ITGAV (0.48) ITGAVL3MBTL1ITGALROCK2ROCK1
SCHEMBL3868029 0.89 ITGAL (0.51) ITGAVITGALROCK2ROCK1OPRM1
SCHEMBL3868350 0.88 ITGAV (0.43) ITGAVL3MBTL1ROCK2ROCK1MMP13
SCHEMBL3868057 0.86 ITGAL (0.57) L3MBTL1ITGALROCK2ROCK1MEN1
SCHEMBL3868227 0.86 L3MBTL1 (0.44) ITGAVL3MBTL1ITGALROCK2ROCK1
SCHEMBL14614309 0.84 ALDH1A1 (0.49) ITGAVL3MBTL1ITGALROCK2ROCK1
SCHEMBL3876677 0.84 ITGAV (0.48) ITGAVITGALROCK2ROCK1CA1
SCHEMBL3866045 0.83 L3MBTL1 (0.48) ITGAVL3MBTL1ROCK2ROCK1ITGB3
SCHEMBL3869880 0.83 ITGAV (0.46) ITGAVITGALROCK2ROCK1ITGB1
SCHEMBL3866036 0.83 ITGAL (0.46) ITGAVL3MBTL1ITGALROCK2ROCK1

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 19 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
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP claimed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 WO 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 ITGAV 3096/4885L3MBTL1 3375/4885ITGAL 2323/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A ITGAV 3096/4885L3MBTL1 3375/4885ITGAL 2323/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAV 2888/4885L3MBTL1 4022/4885ITGAL 2399/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAV 2888/4885L3MBTL1 4022/4885ITGAL 2399/4885

“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.