SCHEMBL4866236

SCHEMBL4866236

CSc1cc(Cl)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
ERN1 O75460 4/20 0.47
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCR2 P41597 4/20 0.39
PTPN1 P18031 1/20 0.38
TERT O14746 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 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
SCHEMBL7820970 0.84 ERN1 (0.52) TDP1ERN1HPGDSMN1; SMN2CCR2
SCHEMBL16666323 0.81 TDP1 (0.52) TDP1ERN1HPGDSMN1; SMN2CCR2
SCHEMBL25078348 0.80 TDP1 (0.55) TDP1ERN1HPGDSMN1; SMN2PTPN1
SCHEMBL22867745 0.79 ALDH1A1 (0.44) ERN1HPGDSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3376315 0.78 ALDH1A1 (0.48) TDP1HPGDSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL2800253 0.78 ALDH1A1 (0.48) TDP1HPGDHSD17B10ALDH1A1MEN1
SCHEMBL13437720 0.76 ERN1 (0.47) ERN1CCR2PTPN1ALDH1A1
SCHEMBL362934 0.76 ALDH1A1 (0.42) TDP1ERN1PTPN1ALDH1A1MEN1
SCHEMBL29954894 0.76 TYR (0.43) ERN1ALDH1A1
SCHEMBL7758779 0.76 HPGD (0.47) HPGDSMN1; SMN2HSD17B10ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702008-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2001-08-29 EP claimed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP claimed
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 WO 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 (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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 TDP1 4157/4885ERN1 3795/4885HPGD 700/4885

“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.