SCHEMBL19709505

SCHEMBL19709505

N#CC(C(=O)NCC(=O)O)c1nc2ccc(Br)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 16/20 0.56
▸ LIPG Q9Y5X9 16/20 0.56
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.41
▸ PPARA Q07869 1/20 0.41

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
SCHEMBL20972671 0.86 LIPC (0.49) LIPCLIPGRAB9ANPC1CYP1A2
SCHEMBL19709504 0.85 LIPG (0.75) LIPCLIPG
SCHEMBL20972622 0.83 LIPG (0.48) LIPCLIPG
SCHEMBL19709492 0.81 LIPC (0.42) LIPCLIPGEGLN1
SCHEMBL16899384 0.79 LIPG (0.57) LIPCLIPG
SCHEMBL19709635 0.78 LIPG (0.48) LIPCLIPG
SCHEMBL16899468 0.77 LIPG (0.56) LIPCLIPG
SCHEMBL20972736 0.75 LIPC (0.80) LIPCLIPG
SCHEMBL19709499 0.72 LIPC (0.42) LIPCLIPGEGLN1
SCHEMBL20972735 0.72 LIPG (1.00) LIPCLIPG

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-10597370-B2 2-(benzothiazol-2-yl)-2-cyano-acetamide derivatives and their use as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-24 — — US disclosed
US-20190144403-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-16 — — US disclosed
WO-2017214005-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-14 — — 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-20190144403-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS LIPG, LPL, CEL LIPC 7/4885LIPG 1/4885RAB9A 4474/4885
US-10597370-B2 2-(benzothiazol-2-yl)-2-cyano-acetamide derivatives and their use as endothelial lipase inhibitors LIPG, LPL, CEL LIPC 7/4885LIPG 1/4885RAB9A 4474/4885

“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.

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