SCHEMBL3693997

SCHEMBL3693997

CCCN(CCCc1ccc2c(ccn2C(C)C(=O)O)c1)S(=O)(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PKM P14618 1/20 0.35
CAPN1 P07384 4/20 0.35
ALDH1A1 P00352 1/20 0.35
PFKFB3 Q16875 1/20 0.35
MMP13 P45452 1/20 0.34
CES1 P23141 1/20 0.34
NR1H2 P55055 1/20 0.34
F2 P00734 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
CNKSR1 Q969H4 1/20 0.33
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ITGB5 P18084 1/20 0.32

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
SCHEMBL3693301 0.87 ITGB3 (0.39) PPARGPKMCAPN1ALDH1A1PFKFB3
SCHEMBL3686001 0.79 CES1 (0.43) CCR5PKMCAPN1ALDH1A1PFKFB3
SCHEMBL3687302 0.78 CNR2 (0.43) MAPT
SCHEMBL3690103 0.78 OXER1 (0.33) PPARGALDH1A1ITGB3ITGAVTP53
SCHEMBL13508430 0.74 PPARG (0.47) CCR5PPARGPPARA
SCHEMBL13508467 0.73 PPARG (0.50) CCR5PPARGPPARAPKMALDH1A1
SCHEMBL3693027 0.73 PKM (0.38) CCR5PKMALDH1A1PFKFB3MMP13
SCHEMBL3690480 0.73 HTR6 (0.39) PFKFB3TP53
SCHEMBL3682873 0.69 S1PR1 (0.36) PPARGMMP13
SCHEMBL14696331 0.66 PKM (0.41) CCR5PKMCAPN1ALDH1A1PFKFB3

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 5 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
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 CCR5 1929/4885PPARG 3/4885PPARA 2/4885

“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.