Sugi Predict

Sugi Predict / Compounds / SCHEMBL3398928

SCHEMBL3398928

SCHEMBL3398928

O=C(O)c1cc(N=C=S)cc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TPMT P51580 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ SELL P14151 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL3900460 0.98 MIF (0.41) MIFHSD17B10CA12CA1CA2
SCHEMBL3401089 0.96 MIF (0.43) MIFHSD17B10CA12CA1CA2
SCHEMBL9446549 0.87 MIF (0.36) MIFHSD17B10CA12CA1CA2
SCHEMBL9446550 0.87 MIF (0.36) MIFHSD17B10CA12CA1CA2
SCHEMBL7744362 0.84 MIF (0.34) MIFHSD17B10CA12CA1CA2
SCHEMBL8762618 0.81 HSD17B10 (0.33) MIFHSD17B10CA1CA2MEN1
SCHEMBL10576473 0.81 P2RY6 (0.38) MIFHSD17B10CA1CA2ALDH1A1
SCHEMBL687302 0.80 MIF (0.52) MIFHSD17B10CA12CA1CA2
SCHEMBL3690243 0.80 CA12 (0.41) HSD17B10CA12CA1CA2CA7
SCHEMBL8764411 0.80 HSD17B10 (0.32) MIFHSD17B10MEN1KMT2ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927221-B2 Dendrimeric metallacrowns THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-02-23 — — US disclosed
US-10562920-B2 Ln(III) and Ga(III) metallacrown complexes THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-02-18 — — US disclosed
US-20180127438-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES NATIONAL SCIENCE FOUNDATION 2018-05-10 — — US disclosed
EP-3283497-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES The Regents of The University of Michigan (US) 2018-02-21 — — EP disclosed
WO-2016166380-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-20 — — WO disclosed
US-8367857-B2 Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 — — US disclosed
US-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 — — US disclosed
EP-2248800-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP Nissan Chemical Industries, Ltd. (JP) 2010-11-10 — — EP disclosed
US-7572459-B2 Prevention infections in humans, animals STARPHARMA PTY LTD. (AU) 2009-08-11 — — US disclosed
EP-1113806-B1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA PTY LTD (AU) 2007-09-05 — — EP disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 — — EP disclosed
US-6464971-B1 ANIONIC-CONTAINING MOIETY IS A NEURAMINIC- OR SIALIC ACID-CONTAINING. MOIETY, IT IS MODIFIED IN THE 4-POSITION BY SUBSTITUTION WITH AN AMINO, AMIDO, CYANO, AZIDO OR GUANIDO GROUP, OR IS UNSATURATED. STARPHARMA LIMITED (AU) 2002-10-15 — — US disclosed
US-6426067-B1 CARDIOVASCULAR DISORDERS; ANTITUMOR AGENTS BIOMOLECULAR RESEARCH INSTITUTE, LTD. (AU) 2002-07-30 — — US disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 — — WO disclosed
EP-1113805-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS Starpharma Limited (AU) 2001-07-11 — — EP disclosed
EP-1113806-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS Starpharma Limited (AU) 2001-07-11 — — EP disclosed
WO-2000015240-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LIMITED (AU) 2000-03-23 — — WO disclosed
WO-2000015239-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LIMITED (AU) 2000-03-23 — — WO disclosed
EP-0927217-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1999-07-07 — — EP disclosed
WO-1998003573-A1 ANGIOGENIC INHIBITORY COMPOUNDS BIOMOLECULAR RESEARCH INSTITUTE LTD. (AU) 1998-01-29 — — 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 (3 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-20180127438-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES NEU3, GALNT3, LGALS3 MIF 193/4885HSD17B10 2774/4885CA12 205/4885
US-10562920-B2 Ln(III) and Ga(III) metallacrown complexes NEU3, GALNT3, LGALS3 MIF 193/4885HSD17B10 2774/4885CA12 205/4885
US-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP CBS, CTH, TST MIF 4284/4885HSD17B10 1193/4885CA12 60/4885

“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.