SCHEMBL5941009

SCHEMBL5941009

CS(=O)(=O)c1snc(O)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8945820 0.79 HTT (0.39) GRIA2GRIA4POLBMAPTKMT2A
SCHEMBL11561052 0.76 SMN1; SMN2 (0.35) POLBALDH1A1HPGDKDM4E
SCHEMBL6833252 0.75 RECQL (0.33) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL8996614 0.70
SCHEMBL11563374 0.70
SCHEMBL5156393 0.69
SCHEMBL8945779 0.68 CDK1 (0.32) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL11450579 0.67 MEN1 (0.33) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21917573 0.67 HTT (0.42) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL9664186 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6247947-A None JP disclosed
US-6989451-B2 Substituted isothiazole compounds are useful for treating the diseases associated with abnormality in protein kinases(especially MAP kinases) VALEANT RESEARCH & DEVELOPMENT (US) 2006-01-24 US disclosed
US-20040039037-A1 Heterocyclic compounds and uses thereof VALEANT PHARMA POLAND SPOLKA Z ORGANICZONA ODPOWIEDZIALNOSCIA (PL) 2004-02-26 US disclosed
US-5484934-A FUNGICIDE, WOOD PRESERVATIVE NIHON NOHYAKU CO., LTD. (JP) 1996-01-16 US disclosed
JP-H06247947-A ISOTHIAZOLE DERIVATIVE, ITS PRODUCTION AND USE THEREOF NIPPON NOHYAKU CO LTD 1994-09-06 JP disclosed
EP-0604978-A1 Isothiazole derivatives, a process for production thereof and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1994-07-06 EP disclosed
EP-0578246-A1 Isothiazole derivatives and processes for preparing the same as well as termite controlling agents comprising the same as active ingredient NIHON NOHYAKU CO., LTD. (JP) 1994-01-12 EP disclosed
US-4167575-A BIOCIDES ROHM AND HAAS COMPANY (US) 1979-09-11 US disclosed
US-4053479-A BIOCIDES ROHM AND HAAS COMPANY (US) 1977-10-11 US disclosed
US-3957808-A BIOCIDES ROHM AND HAAS COMPANY (US) 1976-05-18 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-20040039037-A1 Heterocyclic compounds and uses thereof MAP3K1, MAP3K20, MAP4K2 GRIA2 3149/4885GRIA4 3538/4885POLB 2813/4885

“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.