SCHEMBL3866045

SCHEMBL3866045

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGA5 P08648 1/20 0.42
CFD P00746 1/20 0.41
HPGDS O60760 2/20 0.40
MT-CO2 P00403 1/20 0.40
PGGT1B P53609 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.39
PPARG P37231 1/20 0.39
KLKB1 P03952 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
SCHEMBL3868459 0.93 MT-CO2 (0.43) L3MBTL1ROCK2ROCK1FNTAFNTB
SCHEMBL27550110 0.90 ROCK2 (0.43) L3MBTL1ROCK2ROCK1FNTAFNTB
SCHEMBL13923474 0.90 ROCK2 (0.43) L3MBTL1ROCK2ROCK1FNTAFNTB
SCHEMBL3866996 0.87 ROCK2 (0.45) ROCK2ROCK1FNTAFNTBITGB1
SCHEMBL3868227 0.85 L3MBTL1 (0.44) L3MBTL1ROCK2ROCK1FNTAFNTB
SCHEMBL14614309 0.83 ALDH1A1 (0.49) L3MBTL1ROCK2ROCK1ITGB3ITGB1
SCHEMBL13923475 0.83 MT-CO2 (0.42) L3MBTL1ROCK2ROCK1FNTAFNTB
SCHEMBL3867943 0.83 ITGAV (0.45) L3MBTL1ROCK2ROCK1FNTAFNTB
SCHEMBL3867233 0.83 L3MBTL1 (0.42) L3MBTL1ROCK2ROCK1ITGB3ITGB1
SCHEMBL3868057 0.82 ITGAL (0.57) L3MBTL1ROCK2ROCK1ALDH1A1HPGD

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 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.