Sugi Predict

Sugi Predict / Compounds / SCHEMBL5839766

SCHEMBL5839766

SCHEMBL5839766

O=S(=O)(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.48
▸ TRPV4 Q9HBA0 2/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA4 P22748 3/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CA5B Q9Y2D0 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL11415742 0.87 CA1 (0.44) CYP3A4TRPV4CA1CA2CA4
SCHEMBL29859906 0.82 CYP3A4 (0.50) CYP3A4CA1CA2CA4CA12
SCHEMBL17310965 0.82 CYP3A4 (0.50) CYP3A4CA1CA2CA4CA12
SCHEMBL11757766 0.79 TRPV4 (0.36) TRPV4CA1CA2CA4CA12
SCHEMBL1991714 0.78 TRPV4 (0.50) TRPV4CA1CA2CA4CA12
SCHEMBL11154927 0.78 CYP3A4 (0.46) CYP3A4TRPV4CA1CA2CA4
SCHEMBL29683254 0.78 ALDH1A1 (0.50) CYP3A4TRPV4CA1CA2CA4
SCHEMBL5839608 0.78 CYP3A4 (0.46) CYP3A4CA1CA2CA4CA12
SCHEMBL5704866 0.78 ALDH1A1 (0.50) CYP3A4TRPV4CA1CA2CA4
SCHEMBL2268180 0.76 CA1 (0.55) CYP3A4TRPV4CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7009077-B2 Aromatic sulfonation reactions THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2006-03-07 — — US disclosed
EP-1324982-B1 AROMATIC SULFONATION REACTIONS UNIV BELFAST (GB) 2004-12-08 — — EP disclosed
US-20040242932-A1 Aromatic sulfonation reactions QUEEN'S UNIVERSITY OF BELFAST, THE (GB) 2004-12-02 — — US disclosed
EP-1324982-A1 AROMATIC SULFONATION REACTIONS The Queen's University of Belfast (GB) 2003-07-09 — — EP disclosed
WO-2002030878-A1 AROMATIC SULFONATION REACTIONS THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2002-04-18 — — WO disclosed
US-4246188-A Arylsulfonic acid bromophenyl esters, their preparation, and their use as flameproofing agents DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1981-01-20 — — US disclosed
US-4116934-A Arylsulfonic acid bromophenyl esters, their preparation, and their use as flameproofing agents DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1978-09-26 — — 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-20040242932-A1 Aromatic sulfonation reactions ARSA, TYR, TST CYP3A4 24/4885TRPV4 886/4885CA1 3231/4885

“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.