SCHEMBL2874696

SCHEMBL2874696

CCCc1cc(S)ccc1OCC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.45
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 3/20 0.43
ABCB1 P08183 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
USP2 O75604 1/20 0.42
HMGCR P04035 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3684907 0.90 ALDH1A1 (0.49) ESR1ALDH1A1MAPK1ABCB1CASP3
SCHEMBL5517727 0.87 HMGCR (0.56) ALDH1A1MAPK1PPARGPPARAPPARD
SCHEMBL3922765 0.84 ESR1 (0.50) ESR1ALDH1A1MAPK1PPARGPPARA
SCHEMBL5415924 0.84 PPARG (0.49) ALDH1A1PPARGPPARAPPARDHMGCR
SCHEMBL377848 0.82 ESR1 (0.56) ESR1ALDH1A1CASP3CASP7CASP9
SCHEMBL1815302 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4EMEN1HPGD
SCHEMBL2871402 0.80 PPARD (0.58) ALDH1A1MAPK1PPARGPPARAPPARD
SCHEMBL5513908 0.80 ALDH1A1 (0.56) ALDH1A1PPARGPPARAPPARDHMGCR
SCHEMBL2872198 0.79 NPSR1 (0.49) ESR1ALDH1A1MAPK1PPARGPPARA
SCHEMBL3274113 0.77 KDM4E (0.46) ESR1ALDH1A1MAPK1ABCB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435946-B1 LINKED BIARYL COMPOUNDS AMGEN INC (US) 2013-11-06 EP disclosed
EP-1435946-B1 LINKED BIARYL COMPOUNDS AMGEN INC (US) 2013-11-06 EP disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS MANTLO NATHAN BRYAN 2009-07-09 US disclosed
WO-2004063184-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
EP-1435946-A2 LINKED BIARYL COMPOUNDS Tularik Inc. (US) 2004-07-14 EP disclosed
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists BROOKS DAWN ALISA (US) 2004-02-05 US disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed
US-20030149108-A1 Linked biaryl compounds TULARIK INC. 2003-08-07 US disclosed
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2003024395-A2 LINKED BIARYL COMPOUNDS TULARIK INC. (US) 2003-03-27 WO disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 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 (3 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-20030149108-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB ESR1 1723/4885ALDH1A1 1605/4885MAPK1 1853/4885
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD ESR1 358/4885ALDH1A1 1495/4885MAPK1 3492/4885
US-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS PPARA, PPARG, PPARD ESR1 224/4885ALDH1A1 611/4885MAPK1 3163/4885

“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.