SCHEMBL1168754

SCHEMBL1168754

O=S(=O)(O)NCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
MAPT P10636 2/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
CYP3A4 P08684 1/20 0.63
GAA P10253 1/20 0.63
BLM P54132 1/20 0.63
GFER P55789 1/20 0.63
PMP22 Q01453 1/20 0.63
TAAR1 Q96RJ0 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PRMT1 Q99873 1/20 0.54
CA12 O43570 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53

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
SCHEMBL27493134 0.88 POLB (0.68) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL4256224 0.81 KMT2A (0.53) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL7117183 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL15672851 0.79 MEN1 (0.58) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL3367299 0.79 PRMT1 (0.54) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL4520702 0.79 POLB (0.79) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL4601440 0.79 CA1 (0.59) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL1414871 0.79 CA1 (0.67) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL21034352 0.79 TAAR1 (0.59) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL229506 0.78 CA12 (0.68) ALDH1A1KDM4ELMNACYP3A4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1693372-A1 Novel Sulfamides and their use as endothelin receptor antagonists Actelion Pharmaceuticals Ltd. (CH) 2006-08-23 EP claimed
US-7094781-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-22 US claimed
EP-1345920-B1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-12 EP claimed
US-7018983-B2 Treatment of migraine NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 2006-03-28 US claimed
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 US claimed
EP-1345920-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-09-24 EP claimed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO claimed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
US-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-02-03 US disclosed
WO-2003082263-A1 SULFAMIC ACIDS AS INHIBITORS OF HUMAN CYTOPLASMIC PROTEIN TYROSINE PHOSPHATASES ONTOGEN CORPORATION (US) 2003-10-09 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
EP-0801642-B1 NOVEL SULFAMATE COMPOUND CONTAINING N-SUBSTITUTED CARBAMOYL GROUP AND METHOD FOR PREPARING THE SAME YUKONG LTD (KR) 2000-12-20 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5654461-A Sulfamate compound containing carbamoyl group YUKONG LIMITED (KR) 1997-08-05 US disclosed
WO-1997016417-A1 NOVEL SULFAMATE COMPOUND CONTAINING CARBAMOYL GROUP YUKONG LIMITED (KR) 1997-05-09 WO disclosed
US-4792569-A TREATING EPILEPSY, GLAUCOMA MCNEILAB, INC. (US) 1988-12-20 US disclosed
US-4001241-A GASTRIC ACID, ANTISECRETORY AGENTS SMITHKLINE CORPORATION (US) 1977-01-04 US disclosed
US-3966945-A 2-Alkoxy(and 2-alkoxyalkyl)-2-heterocyclic-thioacetamides for inhibiting gastric acid secretion SMITHKLINE CORPORATION (US) 1976-06-29 US disclosed
US-3956494-A ANTISECRETORY AGENTS, HETEROCYCLIC THIOPROPIONAMIDES SMITHKLINE CORPORATION (US) 1976-05-11 US disclosed
US-3948892-A 2-Alkoxy(and 2-amino)-3-amino-2-heterocyclic-thiopropanamides SMITHKLINE CORPORATION (US) 1976-04-06 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-20110024292-A1 COMPOSITIONS AND METHODS FOR CYCLOFRUCTANS AS SEPARATION AGENTS PAICS, DCXR, PFAS ALDH1A1 1565/4885MAPT 1797/4885KDM4E 4235/4885
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 ALDH1A1 4258/4885MAPT 4294/4885KDM4E 1400/4885

“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.