SCHEMBL384681

SCHEMBL384681

Fc1ccc(F)c(Br)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.40
PSEN2 P49810 5/20 0.40
APH1B Q8WW43 5/20 0.40
NCSTN Q92542 5/20 0.40
APH1A Q96BI3 5/20 0.40
PSENEN Q9NZ42 5/20 0.40
KMT2A Q03164 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
CA9 Q16790 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
EPAS1 Q99814 1/20 0.37
PKM P14618 2/20 0.37
VCP P55072 1/20 0.37
THRB P10828 1/20 0.36
PTGS1 P23219 1/20 0.35

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
SCHEMBL441585 0.86
SCHEMBL6203814 0.86
SCHEMBL1349378 0.84 EPAS1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6731816 0.84 CA3 (0.46) KMT2ACES2CES1CA9CA3
Methylamine SCHEMBL27969203 0.79 CA3 (0.42) CES2CES1CA9CA3CA6
Methyl Alcohol SCHEMBL27969182 0.79 CA3 (0.48) CES2CES1CA9CA3CA6
SCHEMBL27703973 0.79 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31645221 0.77 KMT2A (0.49) KMT2ACA9EPAS1PKMTHRB
SCHEMBL434170 0.77 KMT2A (0.49) KMT2ACA9EPAS1PKMTHRB
SCHEMBL5839980 0.77 CA1 (0.41) CA9CA6CA5ACA14CA5B

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
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
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO 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
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 US disclosed
EP-1778679-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-02 EP disclosed
WO-2006010629-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2006-02-02 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 (3 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 PSEN1 2771/4885PSEN2 1562/4885APH1B 1684/4885
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR PSEN1 3002/4885PSEN2 3533/4885APH1B 4246/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC PSEN1 2771/4885PSEN2 1562/4885APH1B 1684/4885

“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.