SCHEMBL6895344

SCHEMBL6895344

COC(=O)[C@H](CCSC)N=C=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
USP2 O75604 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6895345 1.00 MIF (0.41) MIFALDH1A1L3MBTL1CYP2C9GAA
SCHEMBL21891745 0.86 RNPEP (0.35) MIFRNPEP
SCHEMBL28216410 0.85 MIF (0.40) MIFALDH1A1L3MBTL1CYP2C9GAA
SCHEMBL979343 0.85 METAP2 (0.40) ALDH1A1L3MBTL1RNPEP
SCHEMBL23130163 0.82 RNPEP (0.33) RNPEP
SCHEMBL21891742 0.82 RNPEP (0.33) RNPEP
SCHEMBL12483239 0.82 CTSS (0.40) ALDH1A1RNPEPTSHRKMT2A
SCHEMBL21707116 0.82 CA1 (0.37) MIF
SCHEMBL23423085 0.82 ZDHHC7 (0.39) MIFUSP2
SCHEMBL7837552 0.80 RNPEP (0.47) ALDH1A1L3MBTL1GAARNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
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-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
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
WO-2012177896-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2012-12-27 WO disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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 (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 MIF 2378/4885ALDH1A1 4051/4885L3MBTL1 4729/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 MIF 2378/4885ALDH1A1 4051/4885L3MBTL1 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.