SCHEMBL3684907

SCHEMBL3684907

CCOC(=O)COc1ccc(S)cc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPK1 P28482 2/20 0.47
ESR1 P03372 1/20 0.46
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 4/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NTSR1 P30989 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL2874696 0.90 ESR1 (0.46) ALDH1A1MAPK1ESR1CASP3CASP7
SCHEMBL3271015 0.86 LMNA (0.47) ALDH1A1MAPK1HPGDMAPTLMNA
SCHEMBL377848 0.86 ESR1 (0.56) ALDH1A1ESR1CASP3CASP7CASP9
SCHEMBL29843967 0.84 SRD5A2 (0.54) ALDH1A1MAPK1ESR1CASP3CASP7
SCHEMBL1815302 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1NPSR1HPGDMAPT
SCHEMBL2031260 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1ESR1CASP3CASP7
SCHEMBL3268767 0.83 PTGDR2 (0.50) MAPTCYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL14526124 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1ESR1CASP3CASP7
SCHEMBL14526126 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1ESR1CASP3CASP7
SCHEMBL3274113 0.80 KDM4E (0.46) ALDH1A1MAPK1ESR1CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 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 (2 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-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG ALDH1A1 849/4885MAPK1 3434/4885ESR1 222/4885
US-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG ALDH1A1 1050/4885MAPK1 2241/4885ESR1 1864/4885

“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.