SCHEMBL31031262

SCHEMBL31031262

CCCc1nc(C(F)(F)F)ccc1C=CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
MCHR1 Q99705 9/20 0.36
MAP3K7 O43318 2/20 0.36
TAB1 Q15750 2/20 0.36
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ACVR1 Q04771 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PELI1 Q96FA3 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL3773270 0.88 KDM4E (0.40) TRPV1MCHR1GSK3AGSK3BACVR1
SCHEMBL3773271 0.88 KDM4E (0.40) TRPV1MCHR1GSK3AGSK3BACVR1
SCHEMBL3785172 0.81 KDM4E (0.39) TRPV1MCHR1KDM4ENPC1ALDH1A1
SCHEMBL3785173 0.81 KDM4E (0.39) TRPV1MCHR1KDM4ENPC1ALDH1A1
SCHEMBL3778109 0.80 KDM4E (0.40) TRPV1MCHR1KDM4ENPC1ALDH1A1
SCHEMBL3778110 0.80 KDM4E (0.40) TRPV1MCHR1KDM4ENPC1ALDH1A1
SCHEMBL15959233 0.80 TRPV1 (0.38) TRPV1MCHR1KDM4E
SCHEMBL3772762 0.77 KDM4E (0.40) TRPV1MCHR1P2RX7KDM4ENPC1
SCHEMBL3772760 0.77 KDM4E (0.40) TRPV1MCHR1P2RX7KDM4ENPC1
SCHEMBL19660410 0.75 TRPV1 (0.42) TRPV1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12059412-B2 Pharmaceutical composition containing (R)-N-[1-(3,5-difluoro-4-methanesulfonylamino-phenyl)-ethyl]-3-(2-propyl-6-trifluoromethylpyridin-3-yl)-acrylamide and method for inhibiting crystal formation thereof AMOREPACIFIC CORPORATION (KR) 2024-08-13 US claimed

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-12059412-B2 Pharmaceutical composition containing (R)-N-[1-(3,5-difluoro-4-methanesulfonylamino-phenyl)-ethyl]-3-(2-propyl-6-trifluoromethylpyridin-3-yl)-acrylamide and method for inhibiting crystal formation thereof SULT2A1, SULT1E1, SULT1A1 TRPV1 2202/4885MCHR1 4202/4885MAP3K7 2535/4885

“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.