SCHEMBL6231963

SCHEMBL6231963

CSc1c(C)cccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
AR P10275 5/20 0.45
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN1 P18031 1/20 0.34
ALOX15 P16050 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL15389443 0.87 TSHR (0.46) TSHRARMAPTALDH1A1KDM4E
SCHEMBL7760077 0.79 TSHR (0.50) TSHRARTDP1MEN1MAPT
SCHEMBL30950444 0.78 DYRK1A (0.41) TSHRARALDH1A1KDM4ECYP1A2
SCHEMBL26552130 0.78 TSHR (0.39) TSHRARTDP1ALDH1A1KDM4E
SCHEMBL4460481 0.77 CYP2A6 (0.45) TSHRTDP1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31527965 0.74 TSHR (0.38) TSHRARALDH1A1SMN1; SMN2
SCHEMBL31287953 0.73 MAOA (0.51) TSHRTDP1MEN1MAPTKMT2A
SCHEMBL29941499 0.73 TSHR (0.65) TSHRARTDP1MEN1MAPT
SCHEMBL21022697 0.73 TSHR (0.65) TSHRARALDH1A1KDM4ECYP1A2
SCHEMBL102574 0.73 TSHR (0.65) TSHRARTDP1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081141-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2005-05-04 EP claimed
EP-1081141-A1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2001-03-07 EP claimed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP claimed
US-8802862-B2 1,2-benzisothiazol-3-one compound production method SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2014-08-12 US disclosed
EP-2687520-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND Sumitomo Seika Chemicals Co., Ltd. (JP) 2014-01-22 EP disclosed
EP-2687519-A1 1,2-BENZISOTHIAZOL-3-ONE COMPOUND PRODUCTION METHOD Sumitomo Seika Chemicals CO. LTD. (JP) 2014-01-22 EP disclosed
US-20130345434-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-12-26 US disclosed
US-20130345433-A1 1,2-BENZISOTHIAZOL-3-ONE COMPOUND PRODUCTION METHOD SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-12-26 US disclosed
EP-1081141-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2005-05-04 EP disclosed
EP-1081141-A1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2001-03-07 EP disclosed
US-5773626-A HALOGENATION OF A 2-(ALKYLTHIO)BENZALDEHYDE OXIME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-06-30 US disclosed
US-5633384-A FROM O-ALKYLTHIOBENZONITRILES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-27 US disclosed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP 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-20130345434-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND TST, SOAT1, BZW2 TSHR 2160/4885AR 2824/4885TDP1 3329/4885
US-20130345433-A1 1,2-BENZISOTHIAZOL-3-ONE COMPOUND PRODUCTION METHOD BZW1, BZW2, NAT1 TSHR 2656/4885AR 2782/4885TDP1 2358/4885

“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.