SCHEMBL2127191

SCHEMBL2127191

O=C(O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.52
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.48
GAA P10253 3/20 0.43
PTGDR Q13258 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
PPARG P37231 1/20 0.41
NR1H2 P55055 1/20 0.41
PPARA Q07869 1/20 0.41
NR1H3 Q13133 1/20 0.41
FFAR1 O14842 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRA P10827 1/20 0.40

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
SCHEMBL13172643 0.89 PPARD (0.42) PPARDCA2CA5APTGDRPTGDR2
SCHEMBL2125942 0.87 LMNA (0.43) PPARDCA5AGAAPTGDRPTGDR2
SCHEMBL3426928 0.84 CA5A (0.49) PPARDCA2CA5AGAAPTGDR
SCHEMBL27370416 0.82 CSNK2A1 (0.49) PPARDCA2FFAR1SMN1; SMN2HPGD
SCHEMBL5670426 0.82 CA5A (0.54) PPARDCA2CA5AGAAPTGDR
SCHEMBL2731144 0.82 CA5A (0.72) CA5AGAAPTGDRPTGDR2SMN1; SMN2
SCHEMBL27666054 0.81 ALDH1A1 (0.42) PPARDCA2SMN1; SMN2RXRARXRB
SCHEMBL19468661 0.81 PPARD (0.55) PPARDCA2GAAPTGDR2PPARG
SCHEMBL30488193 0.81 PPARD (0.55) PPARDCA2GAAPTGDR2PPARG
SCHEMBL1679591 0.79 CA5A (0.47) CA5AGAAPTGDRPTGDR2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2016-03-24 US disclosed
US-9238646-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as WNT signaling modulators NOVARTIS AG (CH) 2016-01-19 US disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2443096-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 AstraZeneca AB (SE) 2012-04-25 EP disclosed
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2011-09-29 US disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
WO-2010146395-A1 PYRAZINE CARBOXAMIDES AS INHIBITORS OF DGAT1 ASTRAZENECA AB (SE) 2010-12-23 WO disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP 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-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 PPARD 1544/4885CA2 1408/4885CA5A 871/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI PPARD 133/4885CA2 4718/4885CA5A 4747/4885
US-20100324068-A1 CHEMICAL COMPOUNDS 785 GPBAR1, DGAT1, GPR119 PPARD 732/4885CA2 2049/4885CA5A 644/4885
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, WNT3A PPARD 1668/4885CA2 1104/4885CA5A 929/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 PPARD 115/4885CA2 4308/4885CA5A 738/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 PPARD 26/4885CA2 4239/4885CA5A 4199/4885

“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.