SCHEMBL6231115

SCHEMBL6231115

CCCCc1ccc(Cl)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SKP2 Q13309 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
VCAM1 P19320 1/20 0.41
ACACB O00763 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL18923563 0.93 HSD17B10 (0.53) TSHRHSD17B10ALDH1A1SIGMAR1
SCHEMBL8875728 0.88 TRPV4 (0.46) TSHRHSD17B10NPC1HPGDRAB9A
SCHEMBL10334702 0.85 HSD17B10 (0.46) TSHRHSD17B10NPC1HPGDRAB9A
SCHEMBL12188756 0.83 CYP2A6 (0.47) TSHRHPGDNPSR1ALDH1A1SIGMAR1
SCHEMBL19122600 0.83 HSD17B10 (0.49) TSHRHSD17B10SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL24267634 0.81 HSD17B10 (0.51) TSHRHSD17B10ALDH1A1SIGMAR1
SCHEMBL8875503 0.81 HSD17B10 (0.51) TSHRHSD17B10ALDH1A1SIGMAR1
SCHEMBL11127882 0.81 NPC1 (0.50) TSHRHSD17B10NPC1HPGDRAB9A
SCHEMBL28826019 0.80 HSD17B10 (0.53) TSHRHSD17B10HPGDALDH1A1
SCHEMBL9177318 0.79 SIGMAR1 (0.62) SMN1; SMN2ALDH1A1SKP2SIGMAR1GLA

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
WO-2015055293-A1 METHOD FOR THE PREPARATION OF 1,2-BENZISOTHIAZOLIN-3-ONES THOR GMBH (DE) 2015-04-23 WO 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-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 (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-20130345434-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND TST, SOAT1, BZW2 TSHR 2160/4885HSD17B10 679/4885NPC1 1457/4885

“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.