SCHEMBL16280368

SCHEMBL16280368

CCS(=O)(=O)c1cc(-c2ncccn2)ccc1-c1nc2ccc(C(F)(F)F)nc2n1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.40
USP1 O94782 3/20 0.38
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PTGS1 P23219 6/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL19366976 0.84 USP1 (0.37) PTGS2USP1CA12CA9PTGS1
SCHEMBL10280705 0.84 POLB (0.41) PTGS2USP1PTGS1
SCHEMBL10281169 0.82 USP1 (0.42) PTGS2USP1PTGS1
SCHEMBL15426456 0.80 AKT1 (0.36) USP1CA12CA9NPC1RAB9A
SCHEMBL17495043 0.80 PTGS2 (0.33) PTGS2USP1
SCHEMBL29489516 0.80 PTGS2 (0.33) PTGS2USP1
SCHEMBL17696195 0.74 NR1H2 (0.36) PTGS2PTGS1
SCHEMBL17466031 0.72 DDR1 (0.37) PTGS2USP1PTGS1
SCHEMBL21434488 0.72 DDR1 (0.36) PTGS2USP1PTGS1
SCHEMBL17432166 0.71 RORC (0.37) PTGS2USP1CA12CA9PTGS1

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 PTGS2 3854/4885USP1 1242/4885CA12 3456/4885

“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.