SCHEMBL3865872

SCHEMBL3865872

O=C(NCc1cccc(OC(=O)c2cc(F)cc(F)c2)c1)c1cc(Cl)c(C(=O)N[C@@H](CNC(=O)c2cc(F)cc(F)c2)C(=O)O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
MAPK14 Q16539 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ITGAL P20701 2/20 0.39
MMP13 P45452 2/20 0.39
ITGB1 P05556 7/20 0.38
ITGA4 P13612 4/20 0.38
ITGA5 P08648 6/20 0.38
TMPRSS15 P98073 3/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAV P06756 2/20 0.37
ITGB6 P18564 1/20 0.37
ITGB8 P26012 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
SCHEMBL3868434 0.94 PRSS1 (0.40) PRSS1PRSS2PRSS3MAPK14CTSL
SCHEMBL3869362 0.86 ITGAL (0.49) ITGALITGB1ITGA4ITGA5ITGB2
SCHEMBL3870809 0.86 ITGAV (0.47) PRSS1PRSS2PRSS3MAPK14ITGAL
SCHEMBL3869880 0.81 ITGAV (0.46) MAPK14ITGALMMP13ITGB1ITGA4
SCHEMBL3876678 0.81 ITGAL (0.48) ITGALITGB1ITGA4ITGA5ITGB2
SCHEMBL3867932 0.81 ITGAL (0.44) ITGALITGB1ITGA4ITGA5ITGB2
SCHEMBL23978900 0.80 FOLH1 (0.45) PRSS1PRSS2PRSS3ITGALITGB1
SCHEMBL3871439 0.78 ITGAL (0.51) ITGALITGB1ITGA4ITGA5ITGB2
SCHEMBL16286432 0.78 ITGAL (0.51) ITGALITGB1ITGA4ITGA5ITGB2
SCHEMBL3866729 0.78 ITGAL (0.51) ITGALITGB1ITGA4ITGA5ITGB2

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 8 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

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.