SCHEMBL952348

SCHEMBL952348

CC(F)C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.58
CTSS P25774 4/20 0.58
CTSB P07858 3/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
ATM Q13315 1/20 0.56
CTSK P43235 4/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
CTRB1 P17538 2/20 0.52
ELANE P08246 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
ECE1 P42892 1/20 0.51

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
SCHEMBL220569 0.88 CTSL (0.63) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL2978398 0.88 CTSL (0.63) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8671882 0.88 CTSL (0.63) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL1287168 0.88 CTSL (0.63) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL20529450 0.88 CTRB1 (0.60) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL29467644 0.88 CTRB1 (0.60) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL7886288 0.88 CTRB1 (0.60) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL24734375 0.87 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL7264750 0.87 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL221434 0.87 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A

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 CTSL 2634/4885CTSS 2459/4885CTSB 2044/4885

“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.