SCHEMBL17048994

SCHEMBL17048994

CN(C)C=C(C(=O)O)C(=O)C(F)(F)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 2/20 0.35
MLYCD O95822 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL6378255 0.73 CES2 (0.53) CES1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL6378250 0.73 CES2 (0.53) CES1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL17048735 0.71
SCHEMBL17048736 0.71
SCHEMBL417973 0.71 OPRM1 (0.34) CYP2C19HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL17869078 0.71 OPRM1 (0.37) CYP2C19HIF1AALDH1A1KDM4ETSHR
SCHEMBL17048929 0.70 ALDH1A1 (0.44) CYP2C19SMN1; SMN2CES1ALDH1A1CYP3A4
SCHEMBL17048927 0.70 ALDH1A1 (0.44) CYP2C19SMN1; SMN2CES1ALDH1A1CYP3A4
SCHEMBL28587894 0.70 ALDH1A1 (0.44) CYP2C19SMN1; SMN2CES1ALDH1A1CYP3A4
SCHEMBL3438767 0.70 CES1 (0.48) CYP2C19HIF1ASMN1; SMN2CES1ALDH1A1

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
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA CYP2C19 996/4885HIF1A 1004/4885SMN1; SMN2 4679/4885

“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.