SCHEMBL15034671

SCHEMBL15034671

COC(=O)C(CCSC)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
USP2 O75604 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL18884298 0.83 CTSS (0.41) ALDH1A1RNPEPCTSSCTSKCA1
SCHEMBL14770013 0.83 METAP2 (0.43) ALDH1A1L3MBTL1CYP2C9RNPEPGAA
SCHEMBL17829999 0.78 CA1 (0.48) RECQLCA1CA2USP2CYP3A4
SCHEMBL17357508 0.78 RNPEP (0.52) ALDH1A1L3MBTL1RNPEPGAACTSS
SCHEMBL16682785 0.78 RNPEP (0.52) ALDH1A1L3MBTL1RNPEPGAACTSS
SCHEMBL10743898 0.76 CA1 (0.38) CA1CA2USP2
SCHEMBL21780198 0.76 CA1 (0.38) GAACA1CA2USP2KMT2A
SCHEMBL12868913 0.74 CYP2C9 (0.46) ALDH1A1RECQLL3MBTL1CYP2C9RNPEP
SCHEMBL5516573 0.74 CYP2C9 (0.46) ALDH1A1RECQLL3MBTL1CYP2C9RNPEP
SCHEMBL16944234 0.74 CA2 (0.60) RECQLCTSKCA1CA2USP2

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-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (2 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885RECQL 2056/4885L3MBTL1 4729/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885RECQL 2056/4885L3MBTL1 4729/4885

“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.