SCHEMBL13933839

SCHEMBL13933839

BC(=O)NC(CC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.46
▸ ITGAV P06756 2/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL14071978 0.84 SMN1; SMN2 (0.48) ITGB3ITGAV
SCHEMBL2794893 0.76 CTSS (0.49) MEN1POLBKMT2A
SCHEMBL3504563 0.76 CTSS (0.49) MEN1POLBKMT2A
SCHEMBL2794895 0.76 CTSS (0.49) MEN1POLBKMT2A
SCHEMBL9384225 0.74 FPR2 (0.63) ITGB3MEN1KMT2A
SCHEMBL5926332 0.74 CYP26A1 (0.53) —
SCHEMBL4885775 0.73 CNR2 (0.49) MEN1KMT2A
SCHEMBL4890461 0.73 CNR2 (0.49) MEN1KMT2A
SCHEMBL4885769 0.73 CNR2 (0.49) MEN1KMT2A
SCHEMBL4097623 0.73 SMN1; SMN2 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 — — 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 (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-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 ITGB3 2493/4885ITGAV 2495/4885CYP1A2 586/4885

“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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