SCHEMBL3868720

SCHEMBL3868720

Cc1cc(C(=O)NC[C@H](NC(=O)c2ccc(C(=O)NCc3cccc(O)c3)cc2Cl)C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PPARG P37231 1/20 0.40
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MT-CO2 P00403 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3866500 0.94 ALOX5 (0.49) ALOX5ITGB2ICAM1ITGALFNTA
SCHEMBL3870220 0.91 ALDH1A1 (0.47) ALOX5ITGB2ICAM1ITGALFNTA
SCHEMBL3871876 0.91 PPARG (0.45) ITGALPPARGSMN1; SMN2RAB9AHPGD
SCHEMBL3871282 0.91 ALOX5 (0.44) ALOX5ITGB2ICAM1ITGALFNTA
SCHEMBL3870294 0.91 ALOX5 (0.50) ALOX5ITGB2ICAM1ITGALFNTA
SCHEMBL3869595 0.90 FFAR1 (0.49) ALOX5ITGB2ICAM1ITGALFNTA
SCHEMBL3875259 0.89 NNMT (0.43) ALOX5ITGB2ICAM1ITGALFFAR1
SCHEMBL3873044 0.88 PPARG (0.49) ITGB2ICAM1ITGALPPARGRAB9A
SCHEMBL3869726 0.87 SMN1; SMN2 (0.48) ITGB2ICAM1ITGALPPARGSMN1; SMN2
SCHEMBL3870373 0.87 PPARG (0.46) ITGB2ICAM1ITGALPPARGRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US claimed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US claimed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US claimed
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 ALOX5 1502/4885ITGB2 2369/4885ICAM1 496/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A ALOX5 1502/4885ITGB2 2369/4885ICAM1 496/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ALOX5 1149/4885ITGB2 2243/4885ICAM1 717/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ALOX5 1149/4885ITGB2 2243/4885ICAM1 717/4885

“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.