SCHEMBL15426448

SCHEMBL15426448

CC[S+]([O-])c1cc(C(F)(F)F)ccc1-c1nc2cc(C)ccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ AGPAT2 O15120 2/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ AKR1A1 P14550 1/20 0.33
▸ AKR1B1 P15121 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
SCHEMBL15427221 0.88 AGPAT2 (0.37) PIK3CAPIK3CBPIK3CGAGPAT2KDM4E
SCHEMBL9959554 0.86 PDE2A (0.42) PIK3CAPIK3CBPIK3CGAGPAT2KDM4E
SCHEMBL15868314 0.83 ACSS2 (0.36) PIK3CAPIK3CBPIK3CGAGPAT2MCHR1
SCHEMBL15426412 0.83 POLB (0.36) KDM4ECNR2CNR1S1PR1
SCHEMBL167348 0.83 PDE10A (0.40) PIK3CAPIK3CBPIK3CGAGPAT2KDM4E
SCHEMBL15426340 0.82 NLRP3 (0.44) AGPAT2ACSS2KDM4EHSD17B10TLR8
SCHEMBL10280728 0.80 POLB (0.43) PIK3CAPIK3CBPIK3CGAGPAT2CNR2
SCHEMBL14678192 0.80 AGPAT2 (0.36) PIK3CAPIK3CBPIK3CGAGPAT2KDM4E
SCHEMBL15426497 0.79 HSD11B1 (0.49) PIK3CAPIK3CBPIK3CGAGPAT2MCHR1
SCHEMBL10249069 0.79 SMN1; SMN2 (0.41) AGPAT2ACSS2KDM4EHSD17B10TLR8

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 4 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
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 — — US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 — — 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 (2 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 PIK3CA 4291/4885PIK3CB 4032/4885PIK3CG 4118/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 PIK3CA 4183/4885PIK3CB 3934/4885PIK3CG 4024/4885

“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.

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