SCHEMBL3868227

SCHEMBL3868227

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
ITGAL P20701 3/20 0.40
FOLH1 Q04609 2/20 0.39
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAV P06756 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGA5 P08648 1/20 0.39
ALDH1A1 P00352 2/20 0.38
AURKA O14965 1/20 0.38
CTSL P07711 3/20 0.37
CTSB P07858 2/20 0.37
MT-CO2 P00403 1/20 0.37
BACE1 P56817 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 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
SCHEMBL3867932 0.94 ITGAL (0.44) L3MBTL1ROCK2ROCK1ITGALFOLH1
SCHEMBL3869362 0.89 ITGAL (0.49) ROCK2ROCK1ITGALFOLH1ITGB2
SCHEMBL14614309 0.87 ALDH1A1 (0.49) L3MBTL1ROCK2ROCK1ITGALITGB2
SCHEMBL3867943 0.86 ITGAV (0.45) L3MBTL1ROCK2ROCK1ITGALITGAV
SCHEMBL3868057 0.85 ITGAL (0.57) L3MBTL1ROCK2ROCK1ITGALITGB2
SCHEMBL3866045 0.85 L3MBTL1 (0.48) L3MBTL1ROCK2ROCK1ITGAVITGB3
SCHEMBL3866036 0.85 ITGAL (0.46) L3MBTL1ROCK2ROCK1ITGALITGB2
SCHEMBL13940928 0.84 ITGB1 (0.43) ROCK2ROCK1ITGALITGB1AURKA
SCHEMBL3872877 0.84 ITGB1 (0.43) ROCK2ROCK1ITGALITGB1AURKA
SCHEMBL3867233 0.84 L3MBTL1 (0.42) L3MBTL1ROCK2ROCK1ITGAVITGB3

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 L3MBTL1 3375/4885ROCK2 4245/4885ROCK1 3087/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A L3MBTL1 3375/4885ROCK2 4245/4885ROCK1 3087/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 L3MBTL1 4022/4885ROCK2 4148/4885ROCK1 3663/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 L3MBTL1 4022/4885ROCK2 4148/4885ROCK1 3663/4885

“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.