SCHEMBL3867233

SCHEMBL3867233

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
SYK P43405 1/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
HDAC1 Q13547 1/20 0.39
PPARA Q07869 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACE P12821 1/20 0.39
CTSL P07711 1/20 0.38
POLB P06746 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
PPARG P37231 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
CTSK P43235 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL3868088 0.94 ITGAL (0.41) L3MBTL1SYKROCK2ROCK1HDAC1
SCHEMBL3867450 0.90 ITGAL (0.45) SYKROCK2ROCK1HDAC1PPARA
SCHEMBL3868227 0.84 L3MBTL1 (0.44) L3MBTL1ROCK2ROCK1CTSLITGB3
SCHEMBL3866045 0.83 L3MBTL1 (0.48) L3MBTL1ROCK2ROCK1PPARGNR1H4
SCHEMBL14614309 0.83 ALDH1A1 (0.49) L3MBTL1ROCK2ROCK1MEN1KMT2A
SCHEMBL21940272 0.82 SYK (0.40) SYKROCK2ROCK1HDAC1MEN1
SCHEMBL3867943 0.82 ITGAV (0.45) L3MBTL1ROCK2ROCK1MEN1KMT2A
SCHEMBL3868057 0.81 ITGAL (0.57) L3MBTL1ROCK2ROCK1MEN1KMT2A
SCHEMBL3866036 0.81 ITGAL (0.46) L3MBTL1ROCK2ROCK1PPARGITGB1
SCHEMBL3866192 0.81 MEN1 (0.38) L3MBTL1ROCK2ROCK1PPARAMEN1

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 3375/4885SYK 4784/4885ROCK2 4245/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A L3MBTL1 3375/4885SYK 4784/4885ROCK2 4245/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 L3MBTL1 4022/4885SYK 4774/4885ROCK2 4148/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 L3MBTL1 4022/4885SYK 4774/4885ROCK2 4148/4885

“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.