SCHEMBL204703

SCHEMBL204703

NC(=S)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.45
NAAA Q02083 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
CA7 P43166 1/20 0.43
TACR1 P25103 2/20 0.42
GRM5 P41594 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SLC1A1 P43005 1/20 0.40

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
SCHEMBL7743268 0.83 TSHR (0.61) TSHRKDM4EPOLBCA1CA2
SCHEMBL7427600 0.80 TSHR (0.47) TSHRKDM4EPOLBCA1CA2
SCHEMBL7427597 0.80 TSHR (0.47) TSHRKDM4EPOLBCA1CA2
SCHEMBL203767 0.79 TSHR (0.56) TSHRKDM4EPOLBIDO1NPC1
SCHEMBL7884716 0.79 TSHR (0.56) TSHRKDM4EPOLBCA1CA2
Hydrochloric Acid SCHEMBL8328150 0.78 TSHR (0.54) TSHRKDM4EPOLBCA1CA2
SCHEMBL2080921 0.77 TSHR (0.48) TSHRKDM4EPOLBCA1CA2
Hydroxyamine SCHEMBL1680424 0.77 TSHR (0.83) TSHRKDM4EPOLBCA1CA2
Hydrogen Peroxide SCHEMBL28758135 0.77 TSHR (0.94) TSHRKDM4EPOLBCA1CA2
Carbamic Acid SCHEMBL119806 0.76 TSHR (0.71) TSHRKDM4EPOLBCA1CA2

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
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
WO-2014018807-A1 PEPTIDE EPOXYKETONE COMPOUNDS CENTRAX INTERNATIONAL, INC. (US) 2014-01-30 WO disclosed
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 CN disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
CN-101404989-B Antibacterial agent PROLYSIS LTD 2011-10-05 CN disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
CN-101404989-A Antibacterial agent PROLYSIS LTD (GB) 2009-04-08 CN disclosed
EP-1996180-A1 ANTIBACTERIAL AGENTS Prolysis Limited (GB) 2008-12-03 EP disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 WO disclosed
US-RE39576-E1 Enzyme inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-04-17 US disclosed
CN-1070849-C Enzyme inhibitors WELLCOME FOUND (GB) 2001-09-12 CN disclosed
US-5889056-A OF NITRIC OXIDE SYNTHASE; HYPOTENSIVE AGENT, ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS GLAXO WELLSOME INC. (US) 1999-03-30 US disclosed
CN-1155276-A Enzyme inhibitors WELLCOME FOUND (GB) 1997-07-23 CN disclosed
EP-0765308-A1 ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1997-04-02 EP disclosed
WO-1995034534-A1 ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-12-21 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 TSHR 816/4885KDM4E 819/4885POLB 445/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 TSHR 1283/4885KDM4E 2407/4885POLB 364/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 TSHR 844/4885KDM4E 1251/4885POLB 435/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 TSHR 1283/4885KDM4E 2407/4885POLB 364/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 TSHR 1283/4885KDM4E 2407/4885POLB 364/4885

“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.