SCHEMBL3434572

SCHEMBL3434572

Nc1ccc(S(=O)(=O)O)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.70
CA1 P00915 8/20 0.70
CA9 Q16790 7/20 0.70
CA12 O43570 6/20 0.70
CA7 P43166 5/20 0.70
CA14 Q9ULX7 5/20 0.70
CA4 P22748 4/20 0.70
CA6 P23280 4/20 0.70
CA5A P35218 4/20 0.70
CA5B Q9Y2D0 4/20 0.70
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 3/20 0.57
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NT5E P21589 3/20 0.50

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
SCHEMBL11467219 0.88 CA1 (0.56) CA2CA1CA9CA12CA7
SCHEMBL8911366 0.83 ALDH1A1 (0.62) CA2CA1CA9CA12CA7
SCHEMBL2811342 0.83 CA2 (0.76) CA2CA1CA9CA12CA7
SCHEMBL30351262 0.83 CA2 (1.00) CA2CA1CA9CA12CA7
SCHEMBL878968 0.83 CA2 (1.00) CA2CA1CA9CA12CA7
SCHEMBL391971 0.80 ALDH1A1 (0.69) CA2CA1CA9CA12CA7
SCHEMBL7205924 0.80 ALDH1A1 (0.47) CA2CA1CA9CA12CA7
SCHEMBL14058863 0.80 ALDH1A1 (0.51) CA2CA1CA9CA12CA7
SCHEMBL11200703 0.79 POLB (0.53) CA2CA1CA9CA12CA7
SCHEMBL10694524 0.79 CA2 (0.70) CA2CA1CA9CA12CA7

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117487375-A Red dye derivative and application thereof in high-temperature direct-injection red disperse dye ink 沈阳化工研究院有限公司 2024-02-02 CN disclosed
EP-3581617-A1 COMPOSITIONS COMPRISING A FILM-FORMING POLYMER AND AN AROMATIC ACID OR SALT THEREOF, AND PREPARATION AND USES THEREOF Synthomer (UK) Ltd. (GB) 2019-12-18 EP disclosed
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2018-01-04 US disclosed
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2015-04-02 US disclosed
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2015-04-02 US disclosed
US-8946273-B2 S-Triazolyl alpha-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2015-02-03 US disclosed
US-8946273-B2 S-Triazolyl alpha-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2015-02-03 US disclosed
EP-2491023-B1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2014-12-31 EP disclosed
US-8481581-B2 S-triazolyl α-mercaptoacetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
US-8481581-B2 S-triazolyl α-mercaptoacetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed
US-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed
EP-0012969-B1 WATER-SOLUBLE FIBRE-REACTIVE COMPOUNDS AND THEIR USE IN FIBRE FINISHING,ESPECIALLY AS DYESTUFFS,AND DIHALOGENO-PYRIDAZONYL-CARBOXYLIC AND SULFONIC ACID HALIDES AND THEIR USE AS FIBRE-REACTIVE ANCHORS,AS WELL AS PROCESS FOR THE PREPARATION OF THESE COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1983-06-08 EP disclosed
EP-0045488-A2 Water-soluble fibre-reactive compounds and their use in finishing textiles, as well as the beta-chloroethyl-sulfonyl-methyl-benzoic-acid halogenides, and their use as a fibre-reactive anchor HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-10 EP disclosed
US-4180503-A FOR DYEING POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-12-25 US disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US disclosed
US-4060521-A POLYAMIDE BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed
US-4048154-A POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-3931261-A Bromosalicylanilide biocidal agents GAF CORPORATION (US) 1976-01-06 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 (2 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-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST CA2 849/4885CA1 2506/4885CA9 1284/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST CA2 849/4885CA1 2506/4885CA9 1284/4885

“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.