SCHEMBL17342175

SCHEMBL17342175

CCS(=O)(=O)c1cccnc1-c1nc2cc(C)cc(S(C)(=O)=O)c2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ RAPGEF4 Q8WZA2 2/20 0.31

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
SCHEMBL17358690 0.89 COMT (0.34) COMTALDH1A1LMNAPTGS2TP53
SCHEMBL15868324 0.87 MEN1 (0.36) COMTALDH1A1LMNAPTGS2NPC1
SCHEMBL29431633 0.86 PTGS2 (0.41) COMTPTGS2
SCHEMBL15933507 0.86 PTGS2 (0.41) COMTPTGS2
SCHEMBL17342174 0.84 COMT (0.34) COMTNPC1RAB9ADHODHCA12
SCHEMBL15275086 0.81 NPC1 (0.45) COMTALDH1A1LMNANPC1RAB9A
SCHEMBL15275099 0.80 PDE10A (0.41) COMTALDH1A1LMNANPC1RAB9A
SCHEMBL15868315 0.78 COMT (0.36) COMTALDH1A1LMNAPTGS2SMN1; SMN2
SCHEMBL20104450 0.78 COMT (0.34) COMTPTGS2NPC1RAB9A
SCHEMBL15868300 0.77 PTGS2 (0.37) COMTLMNAPTGS2NPC1RAB9A

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 8 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-9723835-B2 Pest control composition and method for controlling pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-9549559-B2 Composition and method for controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-24 — — 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-20150359219-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PEST 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20150359222-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS TH, TCOF1, BLVRB COMT 83/4885ALDH1A1 3937/4885LMNA 3214/4885
US-20150359223-A1 COMPOSITION AND METHOD FOR CONTROLLING PESTS PNPO, NAMPT, NNT COMT 2502/4885ALDH1A1 3135/4885LMNA 3171/4885
US-20150359219-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PEST ABAT, PNPO, GABBR1 COMT 2065/4885ALDH1A1 2944/4885LMNA 4447/4885
US-20150366208-A1 METHOD FOR CONTROLLING PESTS BROX, RNGTT, NOS1 COMT 783/4885ALDH1A1 1073/4885LMNA 3767/4885

“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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