SCHEMBL3919233

SCHEMBL3919233

COC(=O)Cc1cccc(OC(=S)N(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ACHE P22303 9/20 0.48
SLC7A5 Q01650 1/20 0.46
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
CTBP2 P56545 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 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
SCHEMBL5747563 0.86 ACHE (0.52) ACHE
SCHEMBL377282 0.82 LIPE (0.51) SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL4634509 0.81 SLC7A5 (0.55) SMN1; SMN2ACHESLC7A5ALDH1A1GAA
SCHEMBL6471295 0.81 HSP90AB1 (0.44) SMN1; SMN2ALDH1A1GAAGFERHSP90AB1
SCHEMBL14051488 0.79 ACHE (0.47) SMN1; SMN2ACHEALDH1A1
SCHEMBL31249652 0.79 SMN1; SMN2 (0.61) SMN1; SMN2SLC7A5ALDH1A1CTBP2POLB
SCHEMBL378705 0.79 SMN1; SMN2 (0.61) SMN1; SMN2SLC7A5ALDH1A1CTBP2POLB
SCHEMBL12400239 0.77 SLC7A5 (0.68) SMN1; SMN2SLC7A5ALDH1A1GAAGFER
SCHEMBL3238067 0.76 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1GAAGFERHSP90AB1
SCHEMBL2983278 0.76 CYP4F2 (0.46) ALDH1A1GAAGFERHSP90AB1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7504433-B2 Thiophene derivative PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-17 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1583754-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-12 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2004063184-A1 THIOPHENE DERIVATIVE PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2004063166-A1 HETEROCYCLIC 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
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

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-20090176863-A1 THIOPHENE DERIVATIVE PPAR MODULATORS PPARA, PPARG, PPARD SMN1; SMN2 4855/4885ACHE 4487/4885SLC7A5 1455/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG SMN1; SMN2 4793/4885ACHE 4077/4885SLC7A5 1528/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD SMN1; SMN2 3427/4885ACHE 4336/4885SLC7A5 1932/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD SMN1; SMN2 4368/4885ACHE 4326/4885SLC7A5 1414/4885

“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.