SCHEMBL3579114

SCHEMBL3579114

CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
NOTUM Q6P988 2/20 0.42
ACP1 P24666 1/20 0.38
MAPT P10636 2/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TMPRSS4 Q9NRS4 4/20 0.38
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
CACNA1H O95180 1/20 0.35
KIF11 P52732 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30628783 0.79 CES2 (0.47) CES2NOTUMMAPTXBP1NPSR1
SCHEMBL29656849 0.79 CES2 (0.44) CES2NOTUMMAPTAKR1C3AKR1C2
SCHEMBL23301033 0.79 CES2 (0.44) CES2NOTUMMAPTAKR1C3AKR1C2
SCHEMBL1042998 0.76 CES2 (0.40) CES2NOTUMACP1MAPTXBP1
SCHEMBL25405482 0.75 NOTUM (0.39) CES2NOTUMMAPTXBP1NPSR1
SCHEMBL23887001 0.75 HTT (0.46) CES2NOTUMMAPTTMPRSS4AKR1C3
SCHEMBL2001145 0.74 CES2 (0.72) CES2NOTUMMAPTTMPRSS4KIF11
SCHEMBL30481870 0.74 CES2 (0.72) CES2NOTUMMAPTKDM4EUSP2
SCHEMBL31004884 0.74 CES2 (0.72) CES2NOTUMMAPTTMPRSS4KIF11
SCHEMBL1996550 0.74 CES2 (0.72) CES2NOTUMMAPTKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
EP-2125790-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-12-02 EP disclosed
WO-2008087178-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-07-24 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-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNN3, KCNN2 CES2 3165/4885NOTUM 4557/4885ACP1 3498/4885

“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.