SCHEMBL16899331

SCHEMBL16899331

CC1(C)OB(c2ccc(C(=O)NCCc3ccccc3)cc2)OC1(C)C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CA9 Q16790 2/20 0.71
RAB9A P51151 11/20 0.60
NPC1 O15118 10/20 0.60
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
TAAR1 Q96RJ0 1/20 0.55
MAPT P10636 2/20 0.54
MLYCD O95822 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ESRRG P62508 1/20 0.51

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
SCHEMBL12803088 0.88 CA1 (0.69) CA1CA2CA9RAB9ANPC1
SCHEMBL2355046 0.87 CA2 (0.70) CA1CA2CA9RAB9AHDAC2
SCHEMBL18334890 0.83 CA1 (0.52) CA1CA2CA9RAB9ANPC1
SCHEMBL1684672 0.82 CA1 (0.61) CA1CA2CA9
SCHEMBL16183487 0.82 CA1 (0.61) CA1CA2CA9KMT2A
SCHEMBL15648726 0.82 CA1 (0.61) CA1CA2CA9HDAC6
SCHEMBL30693702 0.82 CA1 (0.70) CA1CA2CA9RAB9AHDAC2
SCHEMBL3264186 0.81 NPC1 (0.63) CA1CA2CA9RAB9ANPC1
SCHEMBL1239941 0.81 HSP90AA1 (0.53) CA1CA2CA9RAB9ANPC1
SCHEMBL29707329 0.81 CA2 (0.52) CA1CA2CA9HDAC2HDAC8

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
US-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
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
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
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.