SCHEMBL7015012

SCHEMBL7015012

COCCOCN(c1onc(C)c1Cl)S(=O)(=O)c1c(C(O)c2c(OC)cccc2OC)sc2ncccc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7022820 0.89 ALDH1A1 (0.34) ALDH1A1ALPLALPIALPGKMT2A
SCHEMBL7021402 0.86 EDNRA (0.34) ALDH1A1
SCHEMBL7023665 0.85 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL7018949 0.84 EDNRA (0.34) ALDH1A1KMT2A
SCHEMBL7014715 0.84 EDNRA (0.37) ALDH1A1KMT2AMAPT
SCHEMBL7014516 0.81 EDNRA (0.38) ALDH1A1KMT2A
SCHEMBL7015010 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7021453 0.79 EDNRA (0.41) ALDH1A1KMT2A
SCHEMBL7026270 0.79 EDNRA (0.34)
SCHEMBL7021347 0.78 KDM4E (0.33) ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP claimed
EP-0898571-B1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2003-11-19 EP disclosed
US-6545014-B2 Glaucoma; adjusting concentration of nitric oxide; hypotensive, antispasmodic, antiischemic, cardiotonic agents; bronchodilators; urogentital disorders; agonists, antagonists for endothelin receptors TEXAS BIOTECHNOLOGY CORPORATION 2003-04-08 US disclosed
US-20020028829-A1 Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-03-07 US disclosed
US-6329387-B2 ANTIHISTAMINE, ANTIINFLAMMATORY AGENTS, VISION DEFECTS TEXAS BIOTECHNOLOGY CORPORATION. 2001-12-11 US disclosed
US-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-08-16 US disclosed
US-6013655-A HYPOTENSIVE AGENTS; RESPIRATORY SYSTEM DIISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-01-11 US disclosed
US-5804585-A INHIBIT BINDING OF ENDOTHELIN PEPTIDE TO ENDOTHELIN RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-09-08 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-20020028829-A1 Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin EDNRB, EDNRA, AGTR2 ALDH1A1 4132/4885ALPL 4821/4885ALPI 4786/4885
US-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRB, EDNRA, AGTR1 ALDH1A1 4060/4885ALPL 4806/4885ALPI 4804/4885

“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.