SCHEMBL4416163

SCHEMBL4416163

C[CH]c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
EPHX2 P34913 1/20 0.42
SCN4A P35499 1/20 0.42
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39
APP P05067 1/20 0.38
DYRK1A Q13627 1/20 0.37
AR P10275 1/20 0.37
PTPN5 P54829 1/20 0.36
KIF11 P52732 2/20 0.36
PDE2A O00408 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
NPBWR1 P48145 1/20 0.36
POLQ O75417 1/20 0.36

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
SCHEMBL18241899 0.82 CES2 (0.43) CES2EPHX2SCN4ABACE1KDM4E
SCHEMBL472401 0.81 CES2 (0.50) CES2EPHX2SCN4ABACE1KDM4E
SCHEMBL9996772 0.81 CES2 (0.46) CES2EPHX2SCN4ABACE1KDM4E
SCHEMBL4076004 0.81 CES2 (0.46) CES2EPHX2SCN4ABACE1KDM4E
SCHEMBL18242844 0.80 CES2 (0.42) CES2EPHX2SCN4ABACE1KDM4E
SCHEMBL27547393 0.80 CES2 (0.46) CES2BACE1KDM4EHCAR1APP
SCHEMBL3315926 0.78 IDO1 (0.43) HCAR1APPAR
SCHEMBL27965595 0.78 CES2 (0.43) CES2EPHX2SCN4ABACE1KDM4E
SCHEMBL18242681 0.77 CES2 (0.40) CES2EPHX2SCN4ABACE1KDM4E
SCHEMBL28176872 0.77 GAA (0.57) EPHX2SCN4ABACE1KDM4EAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP claimed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
CN-1208314-C Factor VIIA inhibitor (thio) urea derivatives, their preparation and their use AVENTIS PHARMA GMBH (DE) 2005-06-29 CN disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
CN-1427818-A Factor VIIA inhibitor (thio) urea derivatives, their preparation and their use AVENTIS PHARMA GMBH (DE) 2003-07-02 CN disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CES2 1419/4885EPHX2 677/4885SCN4A 1269/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CES2 1419/4885EPHX2 677/4885SCN4A 1269/4885

“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.