SCHEMBL3682873

SCHEMBL3682873

CCCN(CCCc1ccc2c(ccn2C(C)(C)C(=O)O)c1)S(=O)(=O)c1cc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
OXER1 Q8TDS5 1/20 0.36
PLA2G4A P47712 1/20 0.34
TPSAB1 Q15661 1/20 0.34
NR3C1 P04150 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
BCHE P06276 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PPARG P37231 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL13508527 0.80 TPSAB1 (0.41) TPSAB1HDAC3HDAC1HDAC2BCHE
SCHEMBL3686015 0.80 CMA1 (0.38) OXER1PLA2G4APPARG
SCHEMBL13508509 0.79 PPARG (0.51) PPARG
SCHEMBL3690427 0.79 HTR6 (0.41)
SCHEMBL13508513 0.78 PPARG (0.55) BCHEPPARGSQLE
SCHEMBL13508548 0.75 PPARG (0.48) PPARG
SCHEMBL3688486 0.71 KDM4E (0.35) PPARGSQLE
SCHEMBL3688162 0.70 ALDH1A1 (0.45) PLA2G4APPARGMMP13CA2
SCHEMBL3690103 0.70 OXER1 (0.33) S1PR1OXER1PLA2G4AHDAC3HDAC1
SCHEMBL3693027 0.69 PKM (0.38) MMP13SQLE

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 S1PR1 997/4885OXER1 1232/4885PLA2G4A 1502/4885

“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.