SCHEMBL5419957

SCHEMBL5419957

CC(=O)SCC(CSCc1ccccc1)C(=O)N(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ABCC3 O15438 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ ACE P12821 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CTSL P07711 1/20 0.34

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
SCHEMBL5419961 0.81 CTSL (0.36) PPARAACEHPGDCTSLCTSB
SCHEMBL5428457 0.80 MME (0.48) MMECYP2C19PPARACYP1A2CYP3A4
SCHEMBL5419962 0.79 CYP1A2 (0.49) MMECYP2C19PPARACYP1A2CYP3A4
SCHEMBL7548947 0.71 NPC1 (0.45) CYP2C19PPARACYP1A2CYP3A4CYP2D6
SCHEMBL6589208 0.71 CTSL (0.47) PPARAACECTSLCTSBCTSS
SCHEMBL3622043 0.70 ACE (0.39) PPARAACECTSLCTSBCTSS
SCHEMBL5422146 0.70 CTSS (0.52) ACECTSLCTSBCTSSCTSK
SCHEMBL5418068 0.69 CYP1A2 (0.55) CYP2C19PPARACYP1A2ACEPPARG
SCHEMBL7325043 0.68 ACE (0.64) ACE
SCHEMBL7317325 0.68 ACE (0.64) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO 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 (1 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE MME 44/4885CYP2C19 1827/4885PPARA 2585/4885

“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.

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