SCHEMBL3693301

SCHEMBL3693301

CCCN(CCOc1ccc2c(ccn2C(C)C(=O)O)c1)S(=O)(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.39
ITGAV P06756 8/20 0.39
ALDH1A1 P00352 1/20 0.36
MMP13 P45452 1/20 0.35
PKM P14618 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
ITGB5 P18084 2/20 0.34
PFKFB3 Q16875 1/20 0.34
IL1RN P18510 2/20 0.34
ERAP2 Q6P179 2/20 0.34
CAPN1 P07384 3/20 0.33
PPARG P37231 1/20 0.33
ERAP1 Q9NZ08 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
SCHEMBL3693997 0.87 CCR5 (0.38) ITGB3ITGAVALDH1A1MMP13PKM
SCHEMBL3693027 0.86 PKM (0.38) ITGB3ITGAVALDH1A1MMP13PKM
SCHEMBL3683155 0.79 MCL1 (0.34) ITGB3ITGAVALDH1A1PPARG
SCHEMBL3684613 0.75 PPARG (0.34) ITGB3ITGAVPPARG
SCHEMBL13508487 0.70 PPARG (0.42) ALDH1A1PKMPFKFB3PPARG
SCHEMBL13508430 0.68 PPARG (0.47) PPARG
SCHEMBL3686001 0.68 CES1 (0.43) ALDH1A1PKMPFKFB3CAPN1
SCHEMBL2002039 0.67 SRD5A2 (0.55) ALDH1A1
SCHEMBL2002036 0.67 SRD5A2 (0.55) ALDH1A1
SCHEMBL2000563 0.67 ITGB3 (0.44) ITGB3ITGAVITGB5PPARG

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 ITGB3 4630/4885ITGAV 4603/4885ALDH1A1 1050/4885

“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.