SCHEMBL3865883

SCHEMBL3865883

Cc1ccsc1C(=O)NC[C@H](NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(O)c2)cc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 7/20 0.51
KMT2A Q03164 1/20 0.44
ITGB2 P05107 6/20 0.41
ICAM1 P05362 6/20 0.41
MT-CO2 P00403 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
ITGB1 P05556 5/20 0.38
ITGA5 P08648 2/20 0.38
ITGA4 P13612 3/20 0.38
ITGA2 P17301 1/20 0.37
ITGB7 P26010 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 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
SCHEMBL3875147 0.92 ITGAL (0.53) ITGALITGB2ICAM1MT-CO2KLKB1
SCHEMBL3873396 0.90 KMT2A (0.43) ITGALKMT2AITGB2ICAM1MT-CO2
SCHEMBL3866687 0.90 ITGAL (0.51) ITGALITGB2ICAM1MT-CO2ITGB1
SCHEMBL3868447 0.87 ITGAL (0.62) ITGALKMT2AITGB2ICAM1ITGB1
SCHEMBL3865632 0.86 ITGAL (0.67) ITGALITGB2ICAM1ITGA4ROCK2
SCHEMBL3871439 0.86 ITGAL (0.51) ITGALKMT2AITGB2ICAM1MT-CO2
SCHEMBL16286432 0.86 ITGAL (0.51) ITGALKMT2AITGB2ICAM1MT-CO2
SCHEMBL30227636 0.86 ITGAL (0.51) ITGALKMT2AITGB2ICAM1MT-CO2
SCHEMBL3866729 0.86 ITGAL (0.51) ITGALKMT2AITGB2ICAM1MT-CO2
SCHEMBL3872363 0.85 ITGAL (0.48) ITGALKMT2AITGB2ICAM1MT-CO2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US claimed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
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-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 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-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 ITGAL 2323/4885KMT2A 3790/4885ITGB2 2369/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A ITGAL 2323/4885KMT2A 3790/4885ITGB2 2369/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAL 2399/4885KMT2A 4000/4885ITGB2 2243/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAL 2399/4885KMT2A 4000/4885ITGB2 2243/4885

“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.