SCHEMBL2800941

SCHEMBL2800941

CS(=O)(=O)OCc1c(F)cc(C#N)cc1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 5/20 0.36
SLC6A9 P48067 9/20 0.32
CYP19A1 P11511 2/20 0.32
TRPV4 Q9HBA0 1/20 0.31
KCNH2 Q12809 3/20 0.31

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
SCHEMBL18300377 0.81 EPAS1 (0.34) EPAS1TRPV4
SCHEMBL856447 0.77 APLNR (0.32)
SCHEMBL18215049 0.77 GRM5 (0.37) CYP19A1
SCHEMBL3713112 0.73 LMNA (0.40)
SCHEMBL17610774 0.73 TRPV4 (0.40) EPAS1TRPV4
SCHEMBL17197208 0.72 NR1I2 (0.33)
SCHEMBL5174970 0.72 CA12 (0.34)
SCHEMBL15164140 0.72 KCNQ2 (0.35) KCNH2
SCHEMBL3149348 0.71 TRPV4 (0.40) EPAS1TRPV4
SCHEMBL18418716 0.71

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077241-B2 Tetrahydro-benzoimidazolyl modulators of TGR5 JANSEN PHARMACEUTICA NV (BE) 2018-09-18 US disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
WO-2015160772-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2015-10-22 WO disclosed
WO-2015160772-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2015-10-22 WO disclosed
US-7803954-B2 Competitive and selective inhibitors of trypsin-like serine proteases involved in hemostasis; anticoagulants; Ph(3-Cl)(5-OCHF2) (R)CH(OH)C(O)-Aze-Pab(OMe); oral administration; gelling matrix modified-release system ASTRAZENECA AB (SE) 2010-09-28 US disclosed
US-7781424-B2 a time-release composition comprising antithrombins such as (2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]methyl]azetidine-2-carboxamide, hydroxy propyl methyl cellulose and sodium stearyl fumarate as a lubricant; cardiovascular disorder ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-7763597-B2 Salts ASTRAZENECA AB (SE) 2010-07-27 US disclosed
EP-2186800-A1 New mandelic acid derivatives and their use as thrombin inhibitors Astra Zeneca AB (SE) 2010-05-19 EP disclosed
US-7700582-B2 Pharmaceutical formulation ASTRAZENECA AB (SE) 2010-04-20 US disclosed
EP-1401502-A1 PHARMACEUTICAL FORMULATION AstraZeneca AB (SE) 2004-03-31 EP disclosed
US-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ASTRAZENECA AB (SE) 2004-01-29 US disclosed
WO-2003101423-A1 IMMEDIATE RELEASE PHARMACEUTICAL FORMULATION ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
WO-2003101424-A1 MODIFIED RELEASE PHARMACEUTICAL FORMULATION ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
WO-2003101957-A1 NEW SALTS ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
WO-2003101956-A1 PHARMACEUTICAL COMBINATION ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
EP-1347955-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS AstraZeneca AB (SE) 2003-10-01 EP disclosed
WO-2003018551-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2003-03-06 WO disclosed
WO-2003000293-A1 PHARMACEUTICAL FORMULATION ASTRAZENECA AB (SE) 2003-01-03 WO disclosed
WO-2002044145-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS ASTRAZENECA AB (SE) 2002-06-06 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-20040019033-A1 Mandelic acid derivatives and their use as throbin inhibitors ADAMTS1, ADAMTS13, ADAMTS7 EPAS1 4057/4885SLC6A9 1322/4885CYP19A1 955/4885
US-10077241-B2 Tetrahydro-benzoimidazolyl modulators of TGR5 GLRA1, GRM5, TRHR EPAS1 3865/4885SLC6A9 1558/4885CYP19A1 2118/4885
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR EPAS1 3865/4885SLC6A9 1558/4885CYP19A1 2118/4885

“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.