SCHEMBL3225943

SCHEMBL3225943

O=C(O)CCn1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TMEM97 Q5BJF2 3/20 0.60
KMO O15229 8/20 0.56
SIGMAR1 Q99720 1/20 0.54
HDAC6 Q9UBN7 1/20 0.47
NPY5R Q15761 3/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
OPRK1 P41145 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
BCL6 P41182 1/20 0.42

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
SCHEMBL2953950 0.85 TMEM97 (0.56) TMEM97KMOSIGMAR1NPY5RCYP3A4
SCHEMBL3224688 0.83 HTT (0.65) HTTL3MBTL1TMEM97KMO
SCHEMBL3221281 0.82 TMEM97 (0.53) HTTL3MBTL1TMEM97SIGMAR1NPY5R
SCHEMBL8870033 0.79 TMEM97 (0.67) L3MBTL1TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL11193880 0.79 TMEM97 (0.56) TMEM97SIGMAR1NPY5RCYP3A4CYP2D6
SCHEMBL11343567 0.79 TMEM97 (0.56) TMEM97SIGMAR1NPY5RCYP3A4CYP2D6
SCHEMBL7822750 0.79 HTT (1.00) HTTL3MBTL1CYP3A4CYP2D6
SCHEMBL18271816 0.79 HTT (0.56) HTTL3MBTL1TMEM97KMO
SCHEMBL11343563 0.78 TMEM97 (0.54) TMEM97SIGMAR1NPY5RCYP3A4CYP2D6
SCHEMBL8870438 0.78 TMEM97 (0.66) L3MBTL1TMEM97SIGMAR1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298010-A1 3-(5-CHLORO-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-3-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
WO-2016188828-A1 3-(5-CHLORO-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-3-YL) PROPANOIC ACID DERIVATIVES AND THEIR USE AS KMO INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-01 WO disclosed
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 WO 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 HTT 2154/4885L3MBTL1 1539/4885TMEM97 4064/4885

“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.