SCHEMBL288096

SCHEMBL288096

NC(c1ccccc1)C(F)(F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
CTSD P07339 1/20 0.39
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL17841494 1.00 CYP2D6 (0.41) CYP2D6SRCDPP4F2LMNA
SCHEMBL23112700 0.84 DPP4 (0.40) DPP4
SCHEMBL23112701 0.84 DPP4 (0.40) DPP4
Hydrochloric Acid SCHEMBL23112467 0.82 DPP4 (0.39) DPP4
Hydrochloric Acid SCHEMBL23112468 0.82 DPP4 (0.39) DPP4
SCHEMBL3979409 0.77 KCNA5 (0.43) CYP2D6SRCDPP4F2LMNA
SCHEMBL29009915 0.77 CYP2D6 (0.43) CYP2D6SRCLMNAMAPK1CES1
SCHEMBL15114536 0.77 LMNA (0.47) CYP2D6SRCLMNAMAPK1CES1
SCHEMBL1082423 0.77 CYP2D6 (0.43) CYP2D6SRCDPP4F2LMNA
SCHEMBL7836925 0.77 AOC3 (0.46) CYP2D6SRCDPP4F2LMNA

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
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 EP disclosed
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2015-01-08 US disclosed
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2014-05-22 US disclosed
US-8592471-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2013-11-26 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
EP-2427435-A1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 US disclosed
WO-2010127856-A1 SUBSTITUTED PHENYLLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 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 (6 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-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 CYP2D6 552/4885SRC 1456/4885DPP4 980/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 CYP2D6 593/4885SRC 1304/4885DPP4 1060/4885
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS TNNI3, NME4, TNNT2 CYP2D6 1493/4885SRC 4352/4885DPP4 2674/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 CYP2D6 593/4885SRC 1304/4885DPP4 1060/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 CYP2D6 552/4885SRC 1456/4885DPP4 980/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 CYP2D6 552/4885SRC 1456/4885DPP4 980/4885

“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.