SCHEMBL15464280

SCHEMBL15464280

COCCN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
NAMPT P43490 4/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
DRD2 P14416 1/20 0.40
P4HB P07237 1/20 0.40
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
F11 P03951 1/20 0.38
DGAT1 O75907 1/20 0.38
ATR Q13535 1/20 0.38
MLYCD O95822 1/20 0.38

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
SCHEMBL22859207 0.92 CA1 (0.41) HDAC4NAMPTCA1CA2CA9
SCHEMBL22922489 0.85 HDAC4 (0.43) HDAC4CA1CA2CA9P4HB
SCHEMBL28506151 0.85 HDAC4 (0.43) HDAC4CA1CA2CA9DRD2
SCHEMBL15173104 0.85 MLYCD (0.56) NAMPTCA1CA2CA9P4HB
SCHEMBL28513866 0.83 LIPG (0.40) HDAC4CA1CA2CA9P4HB
SCHEMBL570468 0.79 P4HB (0.47) CA1CA2CA9P4HBLPL
SCHEMBL1290961 0.78 P4HB (0.48) CA1CA2CA9P4HBLPL
SCHEMBL31353363 0.77 LPL (0.45) CA1CA2CA9LPLLIPG
SCHEMBL25393242 0.77 P4HB (0.42) CA1CA2CA9P4HBLPL
SCHEMBL22858732 0.77 FFAR1 (0.43) CA1CA2CA9P4HBLPL

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
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
EP-2875007-B1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
EP-2875007-B1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
EP-2875007-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2015-05-27 EP 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-8987314-B2 Amide, urea or sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 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-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-02-13 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-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-02-13 US disclosed
WO-2014015088-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-23 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-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, CEL HDAC4 309/4885NAMPT 1218/4885CA1 4441/4885

“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.