SCHEMBL16280511

SCHEMBL16280511

CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(F)(F)F)nc2n1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
POLB P06746 1/20 0.39
USP1 O94782 1/20 0.38
DDR1 Q08345 1/20 0.35
RORC P51449 2/20 0.35
MAPT P10636 1/20 0.35
GRK6 P43250 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE2A O00408 1/20 0.33
SCD O00767 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL10281169 0.84 USP1 (0.42) USP1DDR1CYP1A2CYP3A4CYP2C9
SCHEMBL15412009 0.81 DDR1 (0.39) CNR2CYP11B1CYP11B2POLBUSP1
SCHEMBL15426288 0.77 CNR2 (0.39) CNR2CYP11B1CYP11B2POLBUSP1
SCHEMBL10280702 0.70 USP1 (0.42) CNR2USP1CYP2C9PDE2APTGS2
SCHEMBL9952733 0.70 USP1 (0.57) USP1PTGS2
SCHEMBL20708576 0.70 DDR1 (0.41) CNR2USP1DDR1RORCPTGS2
SCHEMBL21391122 0.68 CDK9 (0.51) CYP11B1CYP11B2MAPTPDE2AKDM4E
SCHEMBL23961249 0.68 USP1 (0.43) CNR2USP1DDR1MAPTCYP2C9
SCHEMBL16280368 0.68 PTGS2 (0.40) USP1PTGS2
SCHEMBL15426394 0.68 HSD11B1 (0.36) USP1CYP1A2CYP3A4CYP2C9CYP2C19

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-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 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-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 CNR2 179/4885CYP11B1 724/4885CYP11B2 809/4885

“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.