SCHEMBL9893568

SCHEMBL9893568

CC(C)(C)OC(=O)Nc1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CYP17A1 P05093 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KAT6A Q92794 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NAMPT P43490 1/20 0.39
SYK P43405 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 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
SCHEMBL1015209 0.86 ALDH1A1 (0.45)
SCHEMBL1991350 0.84 CYP17A1 (0.43) CYP17A1BRD4CREBBPCA1CA12
SCHEMBL21439215 0.84 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL177465 0.83 NLRP3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29954169 0.83 NLRP3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9946007 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6610808 0.81 CYP17A1 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3524643 0.80 NLRP3 (0.32) NLRP3
SCHEMBL16397294 0.80 GLS (0.44) HDAC1BRD4CREBBPCA1CA12
SCHEMBL6988987 0.79 MMP1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081553-B1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIV TSUKUBA (JP) 2018-12-12 EP disclosed
US-9815787-B2 Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2017-11-14 US disclosed
US-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2016-12-15 US disclosed
EP-3081553-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2016-10-19 EP 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-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 HDAC3 1421/4885HDAC1 2845/4885HDAC2 1557/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HDAC3 1421/4885HDAC1 2845/4885HDAC2 1557/4885
US-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 HDAC3 217/4885HDAC1 301/4885HDAC2 150/4885

“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.