SCHEMBL14945015

SCHEMBL14945015

COc1cc(NC(=O)Oc2ccccc2)ccc1OC(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
FAAH O00519 1/20 0.54
ALDH1A1 P00352 7/20 0.52
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KIT P10721 1/20 0.50
PDGFRA P16234 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL28393944 0.88 POLB (0.77) POLBCYP1A2FAAHALDH1A1MAPT
SCHEMBL12073166 0.86 POLB (0.56) POLBCYP1A2FAAHALDH1A1MAPT
SCHEMBL23213624 0.86 POLB (0.53) POLBCYP1A2ALDH1A1MAPTGAA
SCHEMBL29739392 0.85 FAAH (0.53) POLBCYP1A2FAAHALDH1A1MAPT
SCHEMBL16907579 0.85 FAAH (0.53) POLBCYP1A2FAAHALDH1A1MAPT
SCHEMBL1011920 0.84 POLB (0.63) POLBCYP1A2CYP2C9CYP2C19FAAH
SCHEMBL1013296 0.84 POLB (0.67) POLBCYP1A2FAAHALDH1A1MAPT
SCHEMBL16907580 0.84 POLB (0.60) POLBCYP1A2FAAHALDH1A1MAPT
SCHEMBL2486782 0.84 POLB (0.70) POLBCYP1A2ALDH1A1MAPTHTT
SCHEMBL17372580 0.80 POLB (0.73) POLBCYP1A2FAAHALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 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 (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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 POLB 4864/4885CYP1A2 2129/4885CYP2C9 2018/4885

“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.