SCHEMBL8109744

SCHEMBL8109744

CCC(=O)Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.70
PRMT1 Q99873 6/20 0.59
NSD2 O96028 3/20 0.59
CASP6 P55212 3/20 0.59
DUSP3 P51452 2/20 0.59
PTPN5 P54829 2/20 0.59
PTPN11 Q06124 2/20 0.59
CASP7 P55210 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ATM Q13315 1/20 0.49
ENPP2 Q13822 1/20 0.46
CYP3A4 P08684 2/20 0.44
SIRT1 Q96EB6 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 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
SCHEMBL8436477 0.91 PRMT1 (0.72) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL10795626 0.88 NT5E (0.68) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL8415059 0.87 NT5E (0.70) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL9818239 0.87 NT5E (0.70) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL1803097 0.85 NT5E (0.75) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL10900036 0.85 PRMT1 (0.81) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL29384348 0.85 PRMT1 (0.81) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL8115834 0.85 NT5E (0.67) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL10487438 0.85 NT5E (0.67) NT5EPRMT1NSD2CASP6DUSP3
SCHEMBL5720540 0.84 NT5E (0.65) NT5EPRMT1NSD2CASP6DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 US disclosed
US-6015885-A COLOR-STABLE, WATERPROOF DYES FOR NATURAL FIBERS OR REGENERATED CELLULOSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-18 US disclosed
EP-0648814-B1 Dye containing polarizing film SUMITOMO CHEMICAL CO (JP) 1999-12-29 EP disclosed
US-5609796-A MIXTURE OF DISAZO AND TRISAZO DYES, METALLIZED DYES, IN POLYVINYL ALCOHOL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-11 US disclosed
US-5536819-A Trisazo compounds imparting deep black color a method for dyeing by using them and an ink containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-16 US disclosed
US-5489671-A ACID AND TRIAZOLE DYES; GOOD SOLUBILITY, COLORFASTNESS, WATERPROOFING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-06 US disclosed
EP-0648814-A1 Dye containing polarizing film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-19 EP disclosed
EP-0645434-A1 Trisazo compound, method for dyeing by using it and ink containing it SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-29 EP disclosed
EP-0627470-A1 Trisazo compounds, ink containing them and method for dyeing SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-12-07 EP disclosed
EP-0210331-B1 WATER SOLUBLE MONO AND DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-15 EP disclosed
US-4703111-A Water-soluble compounds containing one or two (nitrophenylamino)-phenylamino-chlorotriazinylamino groups, the nitrophenylamino being additionally substituted by a fiber-reactive group of the vinylsulfonyl series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT A CORP. OF GERMANY (DE) 1987-10-27 US disclosed
EP-0210331-A1 Water soluble mono and disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-02-04 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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 NT5E 1825/4885PRMT1 624/4885NSD2 2585/4885

“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.