SCHEMBL952204

SCHEMBL952204

COC(=O)[C@H](CC(F)(F)F)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.59
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
CTSS P25774 6/20 0.55
CTSL P07711 5/20 0.55
CTSB P07858 4/20 0.55
CTSK P43235 6/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
TACR1 P25103 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49

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
SCHEMBL952205 1.00 KYNU (0.59) KYNUALDH1A1ALOX15CTSSCTSL
SCHEMBL16346611 0.92 KYNU (0.59) KYNUALDH1A1ALOX15CTSSCTSL
SCHEMBL1069173 0.91 KYNU (0.58) KYNUALDH1A1ALOX15CTSSCTSL
SCHEMBL371131 0.91 KYNU (0.58) KYNUALDH1A1ALOX15CTSSCTSL
SCHEMBL18455295 0.90 CTSL (0.53) KYNUALDH1A1ALOX15CTSSCTSL
SCHEMBL2627413 0.89 CTSL (0.54) ALDH1A1ALOX15CTSSCTSLCTSB
SCHEMBL954856 0.89 CTSL (0.54) ALDH1A1ALOX15CTSSCTSLCTSB
SCHEMBL954858 0.89 CTSL (0.54) ALDH1A1ALOX15CTSSCTSLCTSB
SCHEMBL1200439 0.88 KYNU (0.56) KYNUALDH1A1ALOX15CTSSCTSL
SCHEMBL1199810 0.88 KYNU (0.56) KYNUALDH1A1ALOX15CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 KYNU 1884/4885ALDH1A1 1179/4885ALOX15 1018/4885

“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.