SCHEMBL3868057

SCHEMBL3868057

Cc1cc(C(=O)NCc2cccc(O)c2)cc(C)c1C(=O)N[C@@H](CNC(=O)c1cccs1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.57
ITGB2 P05107 8/20 0.45
ICAM1 P05362 8/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 4/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL3868447 0.94 ITGAL (0.62) ITGALITGB2ICAM1L3MBTL1HPGD
SCHEMBL13923551 0.91 ITGAL (0.47) ITGALITGB2ICAM1HPGDALDH1A1
SCHEMBL15143535 0.90 ITGAL (0.52) ITGALITGB2ICAM1L3MBTL1HPGD
SCHEMBL3865924 0.90 ITGAL (0.52) ITGALITGB2ICAM1HPGDALDH1A1
SCHEMBL3865632 0.90 ITGAL (0.67) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL3867943 0.86 ITGAV (0.45) ITGALL3MBTL1MEN1KMT2AROCK2
SCHEMBL12272545 0.86 ITGAL (0.53) ITGALITGB2ICAM1HPGDALDH1A1
SCHEMBL12523299 0.86 ITGAL (0.53) ITGALITGB2ICAM1HPGDALDH1A1
SCHEMBL3868227 0.85 L3MBTL1 (0.44) ITGALITGB2ICAM1L3MBTL1ALDH1A1
SCHEMBL13923545 0.84 ITGAL (0.57) ITGALITGB2ICAM1NPC1RAB9A

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 22 patents — showing the first 20. 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
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP claimed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 WO claimed
EP-2806897-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
US-9650363-B2 Integrin antagonist conjugates for targeted delivery to cells expressing LFA-1 HOFFMANN-LA ROCHE INC. (US) 2017-05-16 US disclosed
US-9650363-B2 Integrin antagonist conjugates for targeted delivery to cells expressing LFA-1 HOFFMANN-LA ROCHE INC. (US) 2017-05-16 US disclosed
US-20150065534-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 HOFFMANN-LA ROCHE INC. 2015-03-05 US disclosed
US-20150065534-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 HOFFMANN-LA ROCHE INC. 2015-03-05 US disclosed
WO-2013110679-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO 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-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 (5 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-20150065534-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 ITGA1, ITGB1, ITGA2B ITGAL 5/4885ITGB2 6/4885ICAM1 15/4885
US-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A ITGAL 2323/4885ITGB2 2369/4885ICAM1 496/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A ITGAL 2323/4885ITGB2 2369/4885ICAM1 496/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAL 2399/4885ITGB2 2243/4885ICAM1 717/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 ITGAL 2399/4885ITGB2 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.