SCHEMBL8072956

SCHEMBL8072956

Bc1ccc(C(F)(F)F)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.58
PIK3CA P42336 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
EPHX2 P34913 1/20 0.36
DAO P14920 2/20 0.35
KCNH2 Q12809 2/20 0.34
HDAC4 P56524 1/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
DHFR P00374 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL16328294 0.79 TRPV4 (0.36) TRPV4
SCHEMBL10196090 0.76 TRPV4 (0.32) TRPV4
SCHEMBL229945 0.73 TRPV4 (0.60) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL4149032 0.73 TRPV4 (0.60) TRPV4
SCHEMBL485933 0.73 TRPV4 (1.00) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL2643090 0.71 TRPV4 (0.64) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL114542 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL227613 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL3168829 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL130933 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017175068-A1 THIAZOLOPYRIDINE DERIVATIVES AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 WO disclosed
CN-104684899-B Substituted sulfonamide compounds 霍夫曼-拉罗奇有限公司 2017-07-04 CN disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 WO disclosed
EP-2814820-B1 ANTI-MALARIAL AGENTS UNIV CAPE TOWN (ZA) 2016-07-20 EP disclosed
US-9193747-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2015-11-24 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
WO-2013121387-A1 ANTI -MALARIAL AGENTS UNIVERSITY OF CAPE TOWN (ZA) 2013-08-22 WO disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
US-20100171111-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-07-08 US disclosed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 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 (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-20100171111-A1 ORGANIC ELECTROLUMINESCENT DEVICE NDUFS3, NDUFS2, NDUFS4 TRPV4 988/4885PIK3CA 3017/4885PI4KB 3241/4885

“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.