SCHEMBL2539474

SCHEMBL2539474

Nc1ccc2ccccc2c1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA9 Q16790 6/20 0.52
CA2 P00918 6/20 0.52
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
KEAP1 Q14145 1/20 0.45
HPRT1 P00492 2/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 4/20 0.42
CYP2C9 P11712 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL9840761 0.82 ALDH1A1 (0.43) CA1CA9CA2PKMRAB9A
SCHEMBL8416358 0.82 CYP2A6 (0.50) CA1CA9CA2PKMRAB9A
SCHEMBL10904716 0.82 HPRT1 (0.46) CA1CA9CA2PKMRAB9A
SCHEMBL313224 0.82 CYP2D6 (0.46) CA1CA9CA2PKMRAB9A
Ammonia Solution, Strong SCHEMBL5696244 0.81 CYP2D6 (0.45) CA1CA9CA2PKMRAB9A
SCHEMBL5696256 0.81 ALDH1A1 (0.42) CA1CA9CA2PKMRAB9A
SCHEMBL8610190 0.81 ALDH1A1 (0.42) CA1CA9CA2PKMRAB9A
Ammonia Solution, Strong SCHEMBL5696243 0.81 CYP2D6 (0.45) CA1CA9CA2PKMRAB9A
SCHEMBL5696257 0.81 CYP2D6 (0.45) CA1CA9CA2PKMRAB9A
SCHEMBL5696235 0.81 CYP2D6 (0.45) CA1CA9CA2PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55110937-A None JP disclosed
JP-55110938-A None JP disclosed
EP-2970141-A2 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN Verseon Corporation (US) 2016-01-20 EP disclosed
WO-2014149139-A2 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2014-09-25 WO disclosed
US-8044101-B2 Nitrosation-inducible inhibitors biological macromolecules NEW YORK UNIVERSITY (US) 2011-10-25 US disclosed
US-20090325203-A1 Assay For Tissue Factor And Factor Vlla JENNY RICHARD J 2009-12-31 US disclosed
US-7604932-B2 And blood-coagulation factor VII using aminonapthalene sulfonamide-based fluorogenic substrates HAEMATOLOGIC TECHNOLOGIES, INC. (US) 2009-10-20 US disclosed
US-20090186829-A1 Nitrosation-Inducible Inhibitors Biological Macromolecules NEW YORK UNIVERSITY (US) 2009-07-23 US disclosed
US-7511076-B2 Deactivated proteins NEW YORK UNIVERSITY (US) 2009-03-31 US disclosed
US-20060148022-A1 Assay for tissue factor and factor VIIa HAEMATOLOGIC TECHNOLOGIES, INC 2006-07-06 US disclosed
EP-1007078-A1 PEPTIDOMIMETICS CONTAINING 6-PEPTIDYLAMINO-1-NAPHTHALENESULFONAMIDE MOIETIES Butenas, Saulius (US) 2000-06-14 EP disclosed
WO-1999064622-A1 INHIBITION OF COAGULATION IN BLOOD AND BLOOD PRODUCTS UNIVERSITY OF VERMONT AND STATE AGRICULTURE COLLEGE (US) 1999-12-16 WO disclosed
WO-1998022125-A9 PEPTIDOMIMETICS CONTAINING 6-PEPTIDYLAMINO-1-NAPHTHALENESULFONAMIDE MOIETIES 1998-10-08 WO disclosed
WO-1998022125-A1 PEPTIDOMIMETICS CONTAINING 6-PEPTIDYLAMINO-1-NAPHTHALENESULFONAMIDE MOIETIES BUTENAS SAULIUS (US) 1998-05-28 WO disclosed
US-4906740-A Monoazo dyes containing as the azo component A phenylsulfonylphenyl radical CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4906740-A Monoazo dyes containing as the azo component A phenylsulfonylphenyl radical CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
JP-S55110938-A METHOD OF FLUOROMETRIC DETERMINATION OF GLUTATHIONE YUKI GOSEI YAKUHIN KOGYO KK 1980-08-27 JP disclosed
JP-S55110937-A METHOD OF FLUOMETRIC QUANTATIVE ANALYSIS OF AMINO ACID, PEPTIDE OR PROTEIN USING SODIUM N-CHLORO-1- DIMETHYLAMINONAPHTHALENE-5-SULFONAMIDE YUKI GOSEI YAKUHIN KOGYO KK 1980-08-27 JP disclosed
US-4125368-A Metallized monoazo dyes TOMS RIVER CHEMICAL CORP. (US) 1978-11-14 US disclosed
US-4058515-A Metallized phenyl-azo-naphthol compounds TOMS RIVER CHEMICAL CORPORATION (US) 1977-11-15 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-20090186829-A1 Nitrosation-Inducible Inhibitors Biological Macromolecules NOS2, NOS1, NOS3 CA1 3705/4885CA9 3946/4885CA2 3421/4885

“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.