SCHEMBL4865694

SCHEMBL4865694

CC(=O)Nc1nc(-c2ccc(S(=O)(=O)CCN)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.61
ABL1 P00519 5/20 0.61
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.58
CLK1 P49759 2/20 0.58
MAPK1 P28482 4/20 0.55
PAX8 Q06710 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RORC P51449 2/20 0.54
NPC1 O15118 1/20 0.54
ALOX15 P16050 2/20 0.54
USP2 O75604 1/20 0.54
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL4874135 0.89 ABL1 (0.62) AOC3ABL1RAB9AALDH1A1MAPT
SCHEMBL14019613 0.84 ALDH1A1 (0.55) AOC3ABL1RAB9AALDH1A1MAPT
SCHEMBL27626638 0.84 ABL1 (0.54) AOC3ABL1RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL4873165 0.83 AOC3 (0.56) AOC3ABL1RAB9AALDH1A1MAPT
SCHEMBL539755 0.83 ABL1 (0.72) AOC3ABL1RAB9AALDH1A1MAPT
SCHEMBL27626793 0.82 ABL1 (0.67) AOC3ABL1RAB9AALDH1A1MAPT
SCHEMBL4987542 0.82 CLK1 (0.55) AOC3ABL1RAB9AALDH1A1MAPT
SCHEMBL6390644 0.82 ABL1 (0.60) AOC3ABL1RAB9AALDH1A1MAPT
SCHEMBL4875755 0.82 ABL1 (0.60) AOC3ABL1RAB9AALDH1A1MAPT
SCHEMBL6386474 0.81 ABL1 (0.53) AOC3ABL1RAB9AALDH1A1MAPT

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
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
CN-1794988-B Composition for treating vascular hyperpermeable disease SUCAMPO AG 2010-07-28 CN disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885ABL1 4274/4885RAB9A 2149/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885ABL1 4388/4885RAB9A 1860/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885ABL1 4242/4885RAB9A 3012/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885ABL1 4388/4885RAB9A 1860/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885ABL1 4805/4885RAB9A 340/4885

“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.