SCHEMBL10193649

SCHEMBL10193649

Oc1cc(C(F)(F)F)ccc1OS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NQO2 P16083 1/20 0.38
KIF11 P52732 1/20 0.38
CYP2C19 P33261 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CES2 O00748 2/20 0.36
IDO1 P14902 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL1331644 0.80 L3MBTL1 (0.47) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL30705412 0.77 MGLL (0.39) MEN1KMT2APTGS1KDM4ENQO2
SCHEMBL25836655 0.76 MEN1 (0.41) MEN1KMT2APTGS1KDM4ENQO2
SCHEMBL187016 0.76 KDM4E (0.47) MEN1KMT2AKDM4ECYP2C19USP2
SCHEMBL24436827 0.74 KDM4E (0.62) MEN1KMT2AKDM4ECYP2C19RAB9A
SCHEMBL4520270 0.74 TTR (0.56) RAB9AL3MBTL1
SCHEMBL26062348 0.74 MEN1 (0.46) MEN1KMT2APTGS1KDM4ENQO2
SCHEMBL2001354 0.74 CES2 (0.55) MEN1KMT2APTGS1KDM4ENQO2
SCHEMBL187014 0.73 NQO2 (0.61) MEN1KMT2APTGS1KDM4ENQO2
SCHEMBL4870587 0.73 KDM4E (0.44) MEN1KMT2AKDM4ECYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 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-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MEN1 4561/4885KMT2A 4331/4885PTGS1 186/4885

“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.