SCHEMBL92536

SCHEMBL92536

C#CCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CA9 Q16790 7/20 0.59
P2RY6 Q15077 1/20 0.55
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
ESR1 P03372 1/20 0.54
ALB P02768 1/20 0.54
CA12 O43570 2/20 0.53
CA14 Q9ULX7 2/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
SLC5A2 P31639 1/20 0.52
CA7 P43166 1/20 0.52
FOLH1 Q04609 2/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL16926675 0.94 USP2 (0.56) USP2L3MBTL1CA9P2RY6CA1
SCHEMBL10153957 0.90 USP2 (0.66) USP2L3MBTL1CA9CA1CA2
SCHEMBL3289756 0.90 FOLH1 (0.62) USP2L3MBTL1CA9CA1CA2
SCHEMBL13763752 0.89 P2RY6 (0.53) USP2L3MBTL1CA9P2RY6CA1
SCHEMBL23258882 0.88 USP2 (0.63) USP2L3MBTL1CA9CA1CA2
SCHEMBL16153102 0.87 USP2 (0.64) USP2L3MBTL1CA9CA1CA2
SCHEMBL10138306 0.87 USP2 (0.69) USP2L3MBTL1CA9CA1CA2
SCHEMBL13656547 0.87 USP2 (0.72) USP2L3MBTL1CA9CA1CA2
SCHEMBL15087770 0.86 USP2 (0.61) USP2L3MBTL1CA9CA1CA2
SCHEMBL15143443 0.86 USP2 (0.63) 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-20180064829-A1 FLUORESCENT BISPHOSPHONATE ANALOGS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-03-08 US disclosed
EP-3278107-A1 FLUORESCENT BISPHOSPHONATE ANALOGS University of Southern California (US) 2018-02-07 EP disclosed
WO-2016161407-A1 FLUORESCENT BISPHOSPHONATE ANALOGS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-10-06 WO disclosed
EP-2256126-B1 New labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2015-07-01 EP disclosed
US-8242058-B2 Reagents and methods for appending functional groups to proteins WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-08-14 US disclosed
US-8242058-B2 Reagents and methods for appending functional groups to proteins WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-08-14 US disclosed
US-8129315-B2 Labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2012-03-06 US disclosed
US-20080020942-A1 Reagents and Methods for Appending Functional Groups to Proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 US disclosed
US-20080020942-A1 Reagents and Methods for Appending Functional Groups to Proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 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-20180064829-A1 FLUORESCENT BISPHOSPHONATE ANALOGS PPIP5K2, PHPT1, PTH1R USP2 4869/4885L3MBTL1 3438/4885CA9 1148/4885
US-20080020942-A1 Reagents and Methods for Appending Functional Groups to Proteins PTMS, MTPN, FGB USP2 1618/4885L3MBTL1 426/4885CA9 4576/4885

“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.