SCHEMBL3684709

SCHEMBL3684709

CCCN(CC(C)Oc1cc(C)c(OCC(=O)O)c(C)c1)S(=O)(=O)c1sc2ccc(F)cc2c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.37
PER2 O15055 3/20 0.33
CRY1 Q16526 3/20 0.33
CRY2 Q49AN0 3/20 0.33
PTPN1 P18031 1/20 0.32
PFKFB3 Q16875 1/20 0.31
FFAR1 O14842 1/20 0.31
PFKFB4 Q16877 2/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL3684596 0.91 PPARD (0.38) CMA1PTPN1FFAR1
SCHEMBL3682436 0.91 PFKFB3 (0.38) CMA1PFKFB3PFKFB4PTGDR2
SCHEMBL3689019 0.85 PPARD (0.38) CMA1
SCHEMBL3696840 0.83 CMA1 (0.38) CMA1PTPN1FFAR1
SCHEMBL3679311 0.82 PPARD (0.41) PFKFB3PFKFB4PTGDR2
SCHEMBL3692506 0.81 PFKFB3 (0.36) CMA1PFKFB3PFKFB4
SCHEMBL3681157 0.81 PPARD (0.39) PTPN1FFAR1
SCHEMBL3685322 0.81 CMA1 (0.36) CMA1PER2CRY1CRY2PFKFB3
SCHEMBL3681651 0.80 PPARD (0.42) CMA1FFAR1
SCHEMBL3694979 0.79 PPARD (0.41) CMA1

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 6 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
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US 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 (1 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG CMA1 4529/4885PER2 782/4885CRY1 1905/4885

“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.