SCHEMBL7044831

SCHEMBL7044831

O=C(c1nc2ccccc2o1)C(CCNC(=O)[C@@H](CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1Cl)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL6468767 1.00 CTSS (0.36) CTSSKDM4ECYP3A4CYP2C9ALDH1A1
SCHEMBL7045927 0.91 CTSS (0.38) CTSSKDM4ECYP3A4CYP2C9ALDH1A1
SCHEMBL6467525 0.89 CTSS (0.35) CTSSKDM4ECYP3A4CYP2C9ALDH1A1
SCHEMBL6467381 0.87 CTSS (0.36) CTSSKDM4ECYP3A4CYP2C9ALDH1A1
SCHEMBL6467383 0.85 FAAH (0.40) CTSSKDM4EALDH1A1
SCHEMBL7048621 0.83 CTSS (0.35) CTSSCYP3A4CYP2C9ALDH1A1
SCHEMBL7042156 0.82 CTSS (0.36) CTSSKDM4EALDH1A1
SCHEMBL7187232 0.81 CTSS (0.38) CTSSKDM4ECYP3A4CYP2C9ALDH1A1
SCHEMBL7114802 0.80 LMNA (0.38) CTSSKDM4EALDH1A1
SCHEMBL6464598 0.79 CTSS (0.35) CTSSKDM4ECYP3A4CYP2C9ALDH1A1

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSS 9/4885KDM4E 2918/4885CYP3A4 1183/4885

“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.