SCHEMBL8080915

SCHEMBL8080915

Nc1ccc(O)cc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.50
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA9 Q16790 5/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CYP2C9 P11712 1/20 0.50
PTGS1 P23219 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CA3 P07451 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
GFER P55789 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL17774538 0.84 CDC25B (0.57) CA2CA12CA1CA9CA4
SCHEMBL3494740 0.83 HSD17B10 (0.49) CA2CA12CA1CA9CA7
SCHEMBL27802082 0.82 PTGS1 (0.63) CA2CA12CA1CA9PTGS1
SCHEMBL393315 0.77 CA2 (0.54) CA2CA12CA1CA9CA4
SCHEMBL31095544 0.77 CA2 (0.54) CA2CA12CA1CA9CA4
SCHEMBL1491209 0.77 CA2 (0.50) CA2CA12CA1CA9CA4
SCHEMBL756264 0.77 ALDH1A1 (0.54) CA2CA12CA1CA9PTGS1
SCHEMBL7942749 0.76 ALDH1A1 (0.51) CA2CA12CA1CA9CA7
SCHEMBL1807656 0.76 CA2 (0.63) CA2CA12CA1CA9CA4
Potassium SCHEMBL9046394 0.75 ALDH1A1 (0.53) CA2CA12CA1CA9PTGS1

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-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
EP-0731144-B1 Azo dyes, their production and use CLARIANT FINANCE BVI LTD (VG) 2000-08-23 EP disclosed
US-5964899-A Azo dyes, their production and use CLARIANT FINANCE (BVI) LIMITED (VG) 1999-10-12 US disclosed
EP-0731144-A2 Azo dyes, their production and use Clariant Finance (BVI) Limited (VG) 1996-09-11 EP 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR CA2 86/4885CA12 185/4885CA1 239/4885

“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.