SCHEMBL6231819

SCHEMBL6231819

CCCCc1ccc2s[nH]c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
DDAH1 O94760 1/20 0.43
CASP3 P42574 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MAOA P21397 1/20 0.41
HTR1A P08908 2/20 0.40
POLB P06746 1/20 0.39
SKP2 Q13309 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL8807789 0.90 ALDH1A1 (0.46) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL28407033 0.83 ALDH1A1 (0.48) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL8848194 0.82 KCNJ1 (0.33) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL8622171 0.71 G6PD (0.47) CASP3SKP2RORARORCRORB
SCHEMBL3868022 0.71 MAPT (0.53) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL92265 0.70 ALDH1A1 (0.56) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL11053472 0.70 KDM4E (0.53) MAPTALDH1A1LMNAKDM4EMAOA
SCHEMBL18091427 0.69 ESR1 (0.46) ALDH1A1LMNAKDM4EHTR1AHSD17B10
SCHEMBL15497394 0.69 SKP2 (0.42) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL19142992 0.69 PARP1 (0.43) MAPTALDH1A1HTTHTR1ASKP2

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-8664404-B2 Method for producing 3-halo-1,2-benzisothiazoles SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2014-03-04 US claimed
WO-2015055293-A1 METHOD FOR THE PREPARATION OF 1,2-BENZISOTHIAZOLIN-3-ONES THOR GMBH (DE) 2015-04-23 WO disclosed
EP-2554543-B1 METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES SUMITOMO SEIKA CHEMICALS (JP) 2015-01-21 EP disclosed
US-8664404-B2 Method for producing 3-halo-1,2-benzisothiazoles SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2014-03-04 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
US-20130345434-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-12-26 US disclosed
EP-2554543-A1 METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES Sumitomo Seika Chemicals Co., Ltd. (JP) 2013-02-06 EP disclosed
US-20130005983-A1 METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-01-03 US disclosed
EP-1081141-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2005-05-04 EP disclosed
EP-0702008-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2001-08-29 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-20130005983-A1 METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES NAT1, BPNT1, CBR1 MAPT 2364/4885ALDH1A1 88/4885HTT 442/4885
US-20130345434-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND TST, SOAT1, BZW2 MAPT 1501/4885ALDH1A1 81/4885HTT 338/4885

“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.