SCHEMBL3691567

SCHEMBL3691567

O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CES1 P23141 1/20 0.40
▸ GPR3 P46089 1/20 0.39
▸ CHRM5 P08912 3/20 0.37
▸ TRPV4 Q9HBA0 2/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ DDR1 Q08345 5/20 0.36
▸ PTGES2 Q9H7Z7 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL29948961 1.00 WDR5 (0.43) WDR5ALDH1A1POLBGAATHRB
SCHEMBL2437670 0.81 GPR3 (0.41) WDR5CES1GPR3CHRM5TRPV4
SCHEMBL30567116 0.81 GPR3 (0.41) WDR5CES1GPR3CHRM5TRPV4
SCHEMBL1198803 0.81 TRPV4 (0.49) WDR5CES1GPR3CHRM5TRPV4
SCHEMBL2502219 0.81 TRPV4 (0.57) GAACES1CHRM5TRPV4KIF11
SCHEMBL3610385 0.80 FFAR4 (0.46) WDR5CES1GPR3CHRM5KIF11
SCHEMBL30540027 0.80 FFAR4 (0.46) WDR5CES1GPR3CHRM5KIF11
SCHEMBL1874207 0.79 TRPV4 (0.49) GAATRPV4CA1CA2
SCHEMBL29948804 0.79 TRPV4 (0.49) GAATRPV4CA1CA2
SCHEMBL10964642 0.78 CES1 (0.41) WDR5CES1GPR3CHRM5TRPV4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 — — US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 — — 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
CN-1751037-A Sulfonamide derivatives as PPAR modulators LILLY CO ELI (US) 2006-03-22 — — CN 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 (3 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 WDR5 2451/4885ALDH1A1 799/4885POLB 1963/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 WDR5 2451/4885ALDH1A1 799/4885POLB 1963/4885
US-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG WDR5 2729/4885ALDH1A1 1050/4885POLB 2436/4885

“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.

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