SCHEMBL5520542

SCHEMBL5520542

O=C(N[C@@H](CSCc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.62
PPARG P37231 5/20 0.62
ACE P12821 2/20 0.61
PPARD Q03181 2/20 0.58
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL5520540 1.00 PPARA (0.62) PPARAPPARGACEPPARDLMNA
SCHEMBL6739801 0.90 ACE (0.62) PPARAPPARGACEPPARDLMNA
SCHEMBL6739798 0.90 ACE (0.62) PPARAPPARGACEPPARDLMNA
SCHEMBL11571855 0.87 LMNA (0.55) PPARAPPARGACEPPARDLMNA
SCHEMBL2806082 0.84 ALDH1A1 (0.50) PPARAPPARGACEPPARDLMNA
SCHEMBL2806085 0.84 ALDH1A1 (0.50) PPARAPPARGACEPPARDLMNA
SCHEMBL10654618 0.84 PPARG (0.50) PPARAPPARGACEPPARDLMNA
SCHEMBL10654614 0.84 PPARG (0.50) PPARAPPARGACEPPARDLMNA
SCHEMBL7282451 0.83 ACE (0.67) PPARAPPARGACEPPARD
SCHEMBL7283024 0.83 ACE (0.67) PPARAPPARGACEPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US disclosed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PPARA 4360/4885PPARG 4602/4885ACE 17/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PPARA 4360/4885PPARG 4602/4885ACE 17/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 PPARA 4360/4885PPARG 4602/4885ACE 17/4885

“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.