SCHEMBL6696965

SCHEMBL6696965

CCC[C@H](NC(=O)C(NC1CCOCC1)C(c1ccccc1)c1cccs1)C(O)c1nc2ccccc2o1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.32
GCK P35557 1/20 0.31
MAPK1 P28482 5/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
REN P00797 1/20 0.30
GPR88 Q9GZN0 1/20 0.30
APLNR P35414 1/20 0.30
CTSK P43235 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6062927 0.83 REN (0.37) RENCYP1A2CYP2C19
SCHEMBL6062924 0.83 REN (0.37) RENCYP1A2CYP2C19
SCHEMBL6062920 0.83 REN (0.37) RENCYP1A2CYP2C19
SCHEMBL6630597 0.76 CTSS (0.35) CYP3A4CYP2C9
SCHEMBL6630590 0.76 CTSS (0.35) CYP3A4CYP2C9
SCHEMBL6630594 0.76 CTSS (0.35) CYP3A4CYP2C9
SCHEMBL6630981 0.75 CTSS (0.34) CYP3A4CYP2C9
SCHEMBL6630976 0.75 CTSS (0.34) CYP3A4CYP2C9
SCHEMBL6630977 0.75 CTSS (0.34) CYP3A4CYP2C9
SCHEMBL6692449 0.72 CTSC (0.48) CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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 (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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE TP53 319/4885HTT 1566/4885TSHR 4359/4885

“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.