SCHEMBL9893573

SCHEMBL9893573

CC(C)(O)C(C)(C)OB(O)c1ccccc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.37
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
GAA P10253 1/20 0.37
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NR3C2 P08235 2/20 0.35
NR3C1 P04150 2/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
HTT P42858 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL14861418 0.82 HPGD (0.42) KDM4EALDH1A1HPGDPGRAR
SCHEMBL14861467 0.82 KEAP1 (0.45) KEAP1L3MBTL1KMT2ATSHREP300
SCHEMBL3351205 0.82 KDM4E (0.37) L3MBTL1GAAHSD17B10KDM4EALDH1A1
SCHEMBL3242695 0.82 SMN1; SMN2 (0.43) TSHRHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3521758 0.81 KDM4E (0.34) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL17845939 0.79 GLO1 (0.35) TSHRHPGDSMN1; SMN2HTT
SCHEMBL9893708 0.79 TSHR (0.36) TSHRGAAALDH1A1HTT
SCHEMBL924510 0.78 RXFP1 (0.40) KMT2AGAAMEN1
SCHEMBL1533817 0.77 TDP1 (0.37) L3MBTL1KMT2AGAAKDM4EALDH1A1
SCHEMBL415763 0.77 KEAP1 (0.52) KEAP1L3MBTL1KMT2ATSHREP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371337-B2 β-lactamase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-21 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20140315861-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-23 US disclosed
WO-2013056163-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 WO disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KEAP1 1115/4885L3MBTL1 4393/4885KMT2A 4328/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KEAP1 1115/4885L3MBTL1 4393/4885KMT2A 4328/4885
US-20140315861-A1 BETA-LACTAMASE INHIBITORS BTD, GUSB, BLVRB KEAP1 1340/4885L3MBTL1 62/4885KMT2A 1710/4885

“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.