SCHEMBL15868340

SCHEMBL15868340

CCS(=O)(=O)c1ccc[n+]([O-])c1-c1nc2cc(C(C)(F)F)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACSS2 Q9NR19 1/20 0.36
CNR2 P34972 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RORC P51449 1/20 0.36
PDE2A O00408 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 1/20 0.34
DDR1 Q08345 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
AGPAT2 O15120 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
SCHEMBL17049516 0.86 CA12 (0.42) CA12CA9CA1CA2ACSS2
SCHEMBL17949365 0.84 CNR2 (0.34) CA12CA9CA1CA2ACSS2
SCHEMBL17941388 0.82 CA12 (0.36) CA12CA9CA1CA2ACSS2
SCHEMBL29549778 0.82 CA12 (0.36) CA12CA9CA1CA2ACSS2
SCHEMBL28511144 0.82 DDR1 (0.35) ACSS2CNR2RORCPDE2ADDR1
SCHEMBL15863356 0.80 POLB (0.43) ACSS2RORCPDE2ALMNAHTT
SCHEMBL15868326 0.79 NPC1 (0.41) CA12CA9CA1CA2ACSS2
SCHEMBL9959692 0.75 PDE2A (0.53) CA12CA9CA1CA2ACSS2
SCHEMBL15868320 0.74 JAK2 (0.39) CA12CA9CA1CA2CNR2
SCHEMBL15868313 0.74 BRD4 (0.35) CA12CA9ACSS2CNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974307-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 US disclosed
US-9883675-B2 Method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-06 US disclosed
US-9549559-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-24 US disclosed
US-9403771-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-02 US disclosed
US-20160159743-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-06-09 US disclosed
US-9353110-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-31 US disclosed
US-20160009715-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-14 US disclosed
US-20150366208-A1 METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-24 US disclosed
US-20150359223-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-17 US disclosed
US-20150359222-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-17 US disclosed
US-9120823-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-01 US disclosed
US-20150197532-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-16 US disclosed
US-9018134-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-28 US disclosed
US-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-10 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 (7 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-20160159743-A1 FUSED HETEROCYCLIC COMPOUND NR0B1, NR4A1, NR0B2 CA12 3889/4885CA9 3249/4885CA1 2567/4885
US-20150359222-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS TH, TCOF1, BLVRB CA12 3275/4885CA9 1537/4885CA1 3743/4885
US-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR0B1, NR4A1, NR2C2 CA12 3943/4885CA9 3063/4885CA1 2548/4885
US-20160009715-A1 FUSED HETEROCYCLIC COMPOUND NR0B1, NR4A1, NR0B2 CA12 3889/4885CA9 3249/4885CA1 2567/4885
US-20150359223-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS PNPO, NAMPT, NNT CA12 4854/4885CA9 4793/4885CA1 4651/4885
US-20150366208-A1 METHOD FOR CONTROLLING PESTS BROX, RNGTT, NOS1 CA12 4020/4885CA9 3035/4885CA1 2075/4885
US-20150197532-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR0B1, NR4A1, NR2C2 CA12 3943/4885CA9 3063/4885CA1 2548/4885

“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.