SCHEMBL15470650

SCHEMBL15470650

C=C1NC(=O)C(CC(C)(C)C)S1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 2/20 0.32
CISD1 Q9NZ45 2/20 0.32
MAOB P27338 1/20 0.30

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
SCHEMBL12601239 0.82 TSHR (0.52) KDM4ETSHRHTTMAOACISD1
SCHEMBL13323568 0.77
SCHEMBL25459913 0.74 KDM4E (0.36) KDM4ETSHRHTTMAOACISD1
SCHEMBL12040071 0.71
SCHEMBL791114 0.67
SCHEMBL25459923 0.65 TSHR (0.47) KDM4ETSHRHTTMAOACISD1
SCHEMBL14706886 0.64 RXFP1 (0.51) KDM4EHTTMAOACISD1MAOB
SCHEMBL840077 0.63 PSMD14 (0.44) TSHR
SCHEMBL21325387 0.61 TSHR (0.41) KDM4ETSHRHTT
SCHEMBL9243750 0.58 TSHR (0.43) TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-9139578-B2 Amide or urea containing benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-22 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-20150158856-A1 AMIDE OR UREA CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-06-11 US disclosed
US-8987314-B2 Amide, urea or sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-8680090-B2 Sulfonyl containing benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-25 US disclosed
US-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-02-13 US disclosed
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US 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 (5 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-20150158856-A1 AMIDE OR UREA CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, CEL KDM4E 558/4885TSHR 3855/4885HTT 3876/4885
US-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, CEL KDM4E 356/4885TSHR 3198/4885HTT 3880/4885
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR KDM4E 950/4885TSHR 8/4885HTT 3700/4885
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE KDM4E 457/4885TSHR 3677/4885HTT 4233/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE KDM4E 164/4885TSHR 3921/4885HTT 4167/4885

“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.