SCHEMBL3868434

SCHEMBL3868434

Cc1cc(C(=O)NCc2cccc(OC(=O)c3cc(F)cc(F)c3)c2)cc(Cl)c1C(=O)N[C@@H](CNC(=O)c1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
MMP13 P45452 3/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ITGB1 P05556 7/20 0.37
ITGA5 P08648 3/20 0.37
MAPK14 Q16539 1/20 0.37
ITGA4 P13612 3/20 0.37
ITGAV P06756 3/20 0.36
ITGB6 P18564 1/20 0.36
ITGB8 P26012 1/20 0.36
ITGA2 P17301 1/20 0.36
ITGB7 P26010 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TMPRSS15 P98073 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 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
SCHEMBL3865872 0.94 PRSS1 (0.42) PRSS1PRSS2PRSS3MMP13CTSL
SCHEMBL3867932 0.88 ITGAL (0.44) ITGB1ITGA5ITGA4ITGAVITGB6
SCHEMBL3869880 0.87 ITGAV (0.46) MMP13ITGB1ITGA5MAPK14ITGA4
SCHEMBL3868350 0.81 ITGAV (0.43) MMP13MAPK14ITGAVL3MBTL1TMPRSS15
SCHEMBL3870809 0.81 ITGAV (0.47) PRSS1PRSS2PRSS3MMP13ITGB1
SCHEMBL3869362 0.81 ITGAL (0.49) ITGB1ITGA5ITGA4ITGAVITGB8
SCHEMBL3868227 0.81 L3MBTL1 (0.44) CTSLCTSBITGB1ITGA5ITGAV
SCHEMBL3866036 0.80 ITGAL (0.46) ITGB1ITGA5ITGA4ITGAVITGA2
SCHEMBL3866981 0.77 ITGAV (0.48) ITGB1ITGA5ITGA4ITGAVITGA2
SCHEMBL3876678 0.76 ITGAL (0.48) ITGB1ITGA5ITGA4ITGAV

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 PRSS1 2680/4885PRSS2 4219/4885PRSS3 4210/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A PRSS1 2680/4885PRSS2 4219/4885PRSS3 4210/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 PRSS1 3058/4885PRSS2 4205/4885PRSS3 4200/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 PRSS1 3058/4885PRSS2 4205/4885PRSS3 4200/4885

“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.