SCHEMBL3687045

SCHEMBL3687045

O=S(=O)(O)c1sc2ccc(Cl)cc2c1Br

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.41
CMA1 P23946 7/20 0.41
PFKFB3 Q16875 6/20 0.41
PFKFB4 Q16877 6/20 0.41
AKR1B1 P15121 1/20 0.40
RNASEH1 O60930 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL3686803 0.85 KDM4E (0.46) NPSR1L3MBTL1KDM4ECMA1PFKFB3
SCHEMBL2226181 0.81 NPSR1 (0.60) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
Hydrochloric Acid SCHEMBL6712744 0.79 NPSR1 (0.59) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL3956129 0.78 NPSR1 (0.45) NPSR1L3MBTL1KDM4ECMA1PFKFB3
SCHEMBL3690124 0.78 L3MBTL1 (0.45) NPSR1L3MBTL1KDM4ECMA1PFKFB3
SCHEMBL3692731 0.77 NPSR1 (0.41) NPSR1L3MBTL1KDM4ECMA1PFKFB3
SCHEMBL19299978 0.72 MCL1 (0.57) KDM4EPFKFB3PFKFB4RNASEH1KEAP1
SCHEMBL3947527 0.72 HTR6 (0.45) NPSR1L3MBTL1KDM4ECMA1PFKFB3
SCHEMBL4658351 0.71 NPSR1 (0.47) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL5090711 0.71 BCKDK (0.44) KDM4EKEAP1NFE2L2

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 3 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
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 NPSR1 466/4885L3MBTL1 4653/4885KDM4E 3238/4885

“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.