SCHEMBL3274113

SCHEMBL3274113

CCOC(=O)COc1ccc(S)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
GLA P06280 1/20 0.46
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 4/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
F9 P00740 1/20 0.40
GAA P10253 3/20 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
SCHEMBL2351854 0.86 AR (0.47) KDM4EALDH1A1RXRARXRBRXRG
SCHEMBL3541070 0.84 MAPK1 (0.55) KDM4EGLAESR1ALDH1A1RXRA
SCHEMBL22289887 0.84 PTGDR2 (0.53) KDM4EGLAESR1ALDH1A1RXRA
SCHEMBL13858759 0.83 ALDH1A1 (0.50) KDM4EGLAESR1ALDH1A1RXRA
SCHEMBL5323264 0.83 ESR1 (0.50) KDM4EGLAESR1ALDH1A1RXRA
SCHEMBL13858406 0.83 RXRA (0.49) KDM4EGLAESR1ALDH1A1RXRA
SCHEMBL1549432 0.82 KDM4E (0.45) KDM4EGLAESR1ALDH1A1RXRA
SCHEMBL13858593 0.82 RXRA (0.48) KDM4EGLAESR1ALDH1A1RXRA
SCHEMBL377848 0.81 ESR1 (0.56) KDM4EESR1ALDH1A1CASP3CASP7
SCHEMBL12082832 0.81 RXRA (0.50) RXRARXRBRXRGCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
US-7091245-B2 Compounds, their preparation and use NOVO NOVDISK A/S (DK) 2006-08-15 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
EP-1537076-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2005-06-08 EP disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed
US-20040143006-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-07-22 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004022533-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2004-03-18 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 (4 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-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA KDM4E 4443/4885GLA 812/4885ESR1 1095/4885
US-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD KDM4E 3030/4885GLA 1557/4885ESR1 1589/4885
US-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG KDM4E 3238/4885GLA 788/4885ESR1 1864/4885
US-20040143006-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA KDM4E 4475/4885GLA 846/4885ESR1 1161/4885

“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.