SCHEMBL1803500

SCHEMBL1803500

Nc1cccc2c(S(N)(=O)=O)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.68
▸ CDK2 P24941 1/20 0.64
▸ CA2 P00918 3/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ CA12 O43570 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CA4 P22748 1/20 0.61
▸ CA6 P23280 1/20 0.61
▸ CA5A P35218 1/20 0.61
▸ CA7 P43166 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ CA5B Q9Y2D0 1/20 0.61
▸ NSD2 O96028 10/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL9138970 0.89 CDK2 (0.78) TTRCDK2CA2CA1CA9
SCHEMBL108422 0.87 LDHA (0.64) TTRCDK2CA2CA1CA9
SCHEMBL9669785 0.82 CDK2 (0.58) TTRCDK2CA2CA1CA9
SCHEMBL29518656 0.81 TTR (1.00) TTRCDK2NSD2ALDH1A1CYP3A4
SCHEMBL9927438 0.81 TTR (0.66) TTRCA2NSD2ALDH1A1CYP3A4
SCHEMBL147103 0.81 TTR (1.00) TTRCDK2NSD2ALDH1A1CYP3A4
SCHEMBL30804445 0.81 TTR (1.00) TTRCDK2NSD2ALDH1A1CYP3A4
SCHEMBL8516378 0.81 TTR (0.66) TTRCA2CA1CA9CA12
Hydrochloric Acid SCHEMBL9670851 0.80 CDK2 (0.56) TTRCDK2CA2CA1CA9
SCHEMBL2951284 0.79 TTR (0.96) TTRCDK2NSD2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994385-B1 CHANGED CONDITION INDICATOR COOPERMAN ISADORE (US) 2019-08-14 — — EP disclosed
EP-1709128-B1 FLOOR FINISH COMPOSITION, LAMINATES, AND METHODES FOR TREATING FLOORS ECOLAB INC (US) 2017-10-04 — — EP disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 — — US disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-8044101-B2 Nitrosation-inducible inhibitors biological macromolecules NEW YORK UNIVERSITY (US) 2011-10-25 — — US disclosed
US-7994251-B2 System for coating floors ECOLAB USA INC. (US) 2011-08-09 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — US disclosed
US-7770534-B2 Changed condition indicator THERMOPROX 2010-08-10 — — US disclosed
US-7612085-B2 Sigma 2 receptor ligands and therapeutic uses therefor WASHINGTON UNIVERSITY (US) 2009-11-03 — — US disclosed
US-20090186829-A1 Nitrosation-Inducible Inhibitors Biological Macromolecules NEW YORK UNIVERSITY (US) 2009-07-23 — — US disclosed
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 — — US disclosed
EP-0283959-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-02 — — EP disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 — — US disclosed
US-4912108-A Containing hydroxy substitution A/S FERROSAN (DK) 1990-03-27 — — US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 — — EP disclosed
US-4889855-A ADMINISTERING GLUTAMATE ANTAGONIST TO INHIBIT HYPERACTIVITY OF EXCITATORY NEUROTRANSMITTERS A/S FERROSAN (DK) 1989-12-26 — — US disclosed
EP-0283959-A1 Heterocyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-09-28 — — EP disclosed
US-4022799-A DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 — — US disclosed
US-4001253-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 — — US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 — — 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 TTR 594/4885CDK2 652/4885CA2 1279/4885
US-20090186829-A1 Nitrosation-Inducible Inhibitors Biological Macromolecules NOS2, NOS1, NOS3 TTR 790/4885CDK2 939/4885CA2 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.

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