SCHEMBL16899484

SCHEMBL16899484

CC1(C)OB(c2ccc(NC(=O)NC#N)cc2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.50
CA2 P00918 11/20 0.50
CA9 Q16790 11/20 0.50
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
PDGFRB P09619 2/20 0.44
KDR P35968 2/20 0.44
ESR2 Q92731 1/20 0.41
LPL P06858 3/20 0.41
LIPG Q9Y5X9 3/20 0.41
CXCR2 P25025 1/20 0.40
P4HB P07237 1/20 0.39
F2 P00734 1/20 0.39
F11 P03951 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
SCHEMBL441861 0.82 CA1 (0.54) CA1CA2CA9CA12CA3
SCHEMBL423204 0.81 PDGFRB (0.61) CA1CA2CA9CA12CA3
SCHEMBL2730940 0.81 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL2726754 0.80 CA1 (0.46) CA1CA2CA9CA12CA3
SCHEMBL422455 0.79 LPL (0.61) CA1CA2CA9CA12CA3
SCHEMBL25274590 0.79 CA1 (0.54) CA1CA2CA9CA12CA3
SCHEMBL1284377 0.79 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL706622 0.79 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL441226 0.78 CA1 (0.51) CA1CA2CA9CA12CA3
SCHEMBL14942938 0.78 CA1 (0.57) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
WO-2015105749-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 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 (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-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase LIPG, LIPE, LPL CA1 4304/4885CA2 2826/4885CA9 1969/4885
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, LPL CA1 4304/4885CA2 2826/4885CA9 1969/4885

“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.