SCHEMBL869604

SCHEMBL869604

CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(Cc4ccccc4Br)CC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL387252 0.92 ATM (0.43) ATM
SCHEMBL870013 0.88 CXCR4 (0.50) ATMALDH1A1
SCHEMBL871603 0.83 SIGMAR1 (0.51)
Trifluoroacetic Acid SCHEMBL388711 0.80 CXCR4 (0.44) ATMALDH1A1
SCHEMBL871231 0.80 SIGMAR1 (0.52)
SCHEMBL871640 0.80 SIGMAR1 (0.52) ALDH1A1
SCHEMBL870325 0.80 TDP1 (0.55) ALDH1A1
SCHEMBL870363 0.80 SIGMAR1 (0.48)
SCHEMBL16803722 0.79 GPR119 (0.48)
SCHEMBL870481 0.79 MTNR1B (0.50) L3MBTL1

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 14 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 claimed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP claimed
JP-2010512334-A 2010-04-22 JP claimed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US claimed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP claimed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO claimed
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
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
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
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US 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 ATM 3212/4885ALDH1A1 1087/4885TSHR 2063/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ATM 3212/4885ALDH1A1 1087/4885TSHR 2063/4885

“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.