SCHEMBL2608622

SCHEMBL2608622

Cc1ccc2c(-c3ccc(N=C=S)cc3C(=O)O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CA9 Q16790 14/20 0.45
▸ CA1 P00915 12/20 0.45
▸ CA2 P00918 12/20 0.45
▸ CA12 O43570 6/20 0.45
▸ POLB P06746 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALPL P05186 1/20 0.45
▸ ALPI P09923 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ ATM Q13315 1/20 0.42
▸ PLEC Q15149 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ DNASE1L3 Q13609 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ CA7 P43166 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
SCHEMBL2755000 0.89 USP2 (0.68) USP2L3MBTL1CA9CA1CA2
SCHEMBL7973011 0.88 USP2 (0.51) USP2L3MBTL1CA9CA1CA2
SCHEMBL10060277 0.81 POLB (0.59) USP2L3MBTL1CA9CA1CA2
SCHEMBL10098714 0.80 USP2 (0.76) USP2L3MBTL1CA9CA1CA2
SCHEMBL12637546 0.80 USP2 (0.57) USP2L3MBTL1CA9CA1CA2
SCHEMBL14089620 0.78 CA9 (0.55) USP2L3MBTL1CA9CA1CA2
SCHEMBL10014172 0.78 CA9 (0.56) USP2L3MBTL1CA9CA1CA2
SCHEMBL12039540 0.78 USP2 (0.55) USP2L3MBTL1CA9CA1CA2
SCHEMBL14173524 0.78 USP2 (0.72) USP2L3MBTL1CA9CA1CA2
SCHEMBL16731601 0.77 USP2 (0.50) USP2L3MBTL1CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987379-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 — — US disclosed
US-9555130-B2 Compositions and methods for in vivo imaging of myelin in the peripheral nervous system CASE WESTERN RESERVE UNIVERSITY (US) 2017-01-31 — — US disclosed
EP-1810976-B1 BENZONAPHTHACENEGLYCOSIDE DERIVATIVE AND USE THEREOF FUJIFILM CORP (JP) 2014-08-27 — — EP disclosed
US-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-20 — — US disclosed
US-20120093727-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING OF MYELIN IN THE PERIPHERAL NERVOUS SYSTEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-19 — — US disclosed
US-20110189090-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN WANG YANMING 2011-08-04 — — US disclosed
US-20100221180-A1 IN VIVO IMAGING OF MYELINATION WANG YANMING 2010-09-02 — — US disclosed
US-20090123373-A1 AMYLOID-IMAGING AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2009-05-14 — — US disclosed
EP-1810976-A1 BENZONAPHTHACENEGLYCOSIDE DERIVATIVE AND USE THEREOF FUJIFILM Corporation (JP) 2007-07-25 — — EP 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-20100221180-A1 IN VIVO IMAGING OF MYELINATION MAG, PMP22, MYT1 USP2 1401/4885L3MBTL1 1202/4885CA9 4486/4885
US-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION MAG, FABP7, PMP22 USP2 1886/4885L3MBTL1 2999/4885CA9 3400/4885
US-20110189090-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN MAG, MYT1, PMP22 USP2 1479/4885L3MBTL1 2119/4885CA9 2671/4885
US-20090123373-A1 AMYLOID-IMAGING AGENTS APBA1, APP, MAPT USP2 2090/4885L3MBTL1 1864/4885CA9 1710/4885
US-20120093727-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING OF MYELIN IN THE PERIPHERAL NERVOUS SYSTEM PMP22, MAG, MYT1 USP2 1402/4885L3MBTL1 2045/4885CA9 3511/4885

“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.

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