SCHEMBL2240763

SCHEMBL2240763

OCc1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
DPP4 P27487 2/20 0.46
KIF11 P52732 4/20 0.42
PRF1 P14222 1/20 0.39
HDAC4 P56524 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
WRN Q14191 1/20 0.38
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37

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
SCHEMBL4554054 0.86 KIF11 (0.40) CYP2A6HDAC6KIF11PRF1HDAC4
SCHEMBL1197836 0.85 CYP2A6 (0.51) CYP2A6HDAC6MEN1ALDH1A1GLA
SCHEMBL2242502 0.82 KIF11 (0.39) CYP2A6HDAC6KIF11PRF1HDAC4
SCHEMBL27961778 0.80 KIF11 (0.52) ALDH1A1KIF11PRF1
SCHEMBL14705447 0.80 KIF11 (0.52) ALDH1A1KIF11PRF1
SCHEMBL22340142 0.80 PSEN1 (0.49) HDAC6MEN1ALDH1A1HPGDKMT2A
SCHEMBL28280412 0.79 ALDH1A1 (0.52) CYP2A6HDAC6MEN1ALDH1A1GLA
SCHEMBL14705469 0.78 KIF11 (0.50) KIF11PRF1WRN
SCHEMBL4551879 0.78 PRF1 (0.42) CYP2A6HDAC6KIF11PRF1HDAC4
SCHEMBL25165734 0.77 KIF11 (0.54) KIF11PRF1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS MANTLO NATHAN BRYAN 2009-07-09 US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 US disclosed
US-20060094768-A1 Thiophene derivative ppar modulators ELI LILLY AND COMPANY 2006-05-04 US disclosed
EP-1583754-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-12 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
US-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors GLAXO GROUP LIMITED (GB) 2004-08-12 US disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2004063184-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (5 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA CYP2A6 282/4885HDAC6 1897/4885MEN1 4754/4885
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 CYP2A6 700/4885HDAC6 1454/4885MEN1 2521/4885
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS PPARA, PPARG, PPARD CYP2A6 163/4885HDAC6 747/4885MEN1 4884/4885
US-20060094768-A1 Thiophene derivative ppar modulators PPARA, PPARG, PPARD CYP2A6 164/4885HDAC6 765/4885MEN1 4884/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD CYP2A6 491/4885HDAC6 582/4885MEN1 4660/4885

“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.