SCHEMBL389159

SCHEMBL389159

COCCCSc1ccc(B(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
ENPP2 Q13822 1/20 0.42
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LPL P06858 7/20 0.38
LIPG Q9Y5X9 7/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL384521 0.89 CA2 (0.45) KDM4EALDH1A1PKMCA2CA1
SCHEMBL15229585 0.81 CA2 (0.53) CA2CA1LPLLIPGTRPV1
SCHEMBL21993463 0.79 KDM4E (0.50) KDM4EALDH1A1PKMCA2HTT
SCHEMBL1684507 0.79 CA2 (0.47) CA2CA1ENPP2LPLLIPG
SCHEMBL2490739 0.79 LIPG (0.56) CA2CA1LPLLIPGTRPV1
SCHEMBL3062911 0.77 LPL (0.50) CA2CA1ENPP2LPLLIPG
SCHEMBL2940920 0.76 KDM4E (0.50) KDM4EALDH1A1PKMCA2HTT
SCHEMBL12740992 0.75 CA2 (0.48) KDM4EALDH1A1CA2CA1ENPP2
SCHEMBL642392 0.75 ALDH1A1 (0.58) KDM4EALDH1A1PKMMTNR1AMTNR1B
SCHEMBL2561437 0.74 CA2 (0.55) CA2CA1ENPP2LPLLIPG

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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC KDM4E 4189/4885ALDH1A1 1087/4885PKM 910/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC KDM4E 4189/4885ALDH1A1 1087/4885PKM 910/4885

“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.