SCHEMBL3866192

SCHEMBL3866192

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSL P07711 1/20 0.36
ITGB1 P05556 4/20 0.36
MAPT P10636 3/20 0.36
ITGA5 P08648 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGA2 P17301 1/20 0.35
ITGB7 P26010 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MMP13 P45452 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3868016 0.88 ITGAL (0.48) ITGB1MAPTITGA5ITGA4ITGA2
SCHEMBL3868088 0.87 ITGAL (0.41) MEN1KMT2ACTSLITGB1MAPT
SCHEMBL3866814 0.83 ITGAL (0.51) ITGB1MAPTITGA5HPGD
SCHEMBL3867004 0.83 MMP13 (0.44) PPARGPPARDPPARAMMP13LMNA
SCHEMBL3867450 0.82 ITGAL (0.45) MEN1KMT2ACTSLITGB1ITGA5
SCHEMBL3866898 0.81 MMP13 (0.47) MEN1KMT2AMMP13TDP1LMNA
SCHEMBL3867233 0.81 L3MBTL1 (0.42) MEN1KMT2ACTSLITGB1MAPT
SCHEMBL3871177 0.78 MMP13 (0.48) PPARGPPARDPPARAMMP13LMNA
SCHEMBL3865884 0.78 MMP13 (0.46) MEN1KMT2APPARGPPARDPPARA
SCHEMBL3868434 0.76 PRSS1 (0.40) CTSLITGB1ITGA5ITGA4ITGA2

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 MEN1 4444/4885KMT2A 3790/4885CTSL 2443/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A MEN1 4444/4885KMT2A 3790/4885CTSL 2443/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 MEN1 4739/4885KMT2A 4000/4885CTSL 2419/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 MEN1 4739/4885KMT2A 4000/4885CTSL 2419/4885

“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.