SCHEMBL15928822

SCHEMBL15928822

CC(C)(C)C(=O)c1ccc(-c2cc(=S)ss2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.54
HDAC1 Q13547 11/20 0.54
HDAC3 O15379 10/20 0.54
HDAC4 P56524 10/20 0.54
HDAC7 Q8WUI4 10/20 0.54
HDAC2 Q92769 10/20 0.54
HDAC10 Q969S8 10/20 0.54
HDAC11 Q96DB2 10/20 0.54
HDAC8 Q9BY41 10/20 0.54
HDAC9 Q9UKV0 10/20 0.54
HDAC5 Q9UQL6 10/20 0.54
PGR P06401 2/20 0.50
MEN1 O00255 1/20 0.50
ADRB2 P07550 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAOA P21397 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
NPY1R P25929 1/20 0.50
ADORA2A P29274 1/20 0.50

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
SCHEMBL15931886 0.81 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL4556769 0.80 HDAC1 (0.61) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21498359 0.77 HDAC3 (0.54) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL17369683 0.77 HDAC3 (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL15745797 0.74 PGR (0.51) PGRMEN1AGTR1KMT2AAR
SCHEMBL15928850 0.74 HDAC3 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL10031827 0.72 PGR (0.47) HDAC1PGRAR
SCHEMBL8457651 0.71 HDAC3 (0.64) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2428473 0.71 HDAC3 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL14714171 0.71 MEN1 (0.58) HDAC6HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 US disclosed
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 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 (6 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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 HDAC6 395/4885HDAC1 873/4885HDAC3 1591/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 HDAC6 454/4885HDAC1 1307/4885HDAC3 1246/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 HDAC6 454/4885HDAC1 1307/4885HDAC3 1246/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 HDAC6 550/4885HDAC1 2716/4885HDAC3 1397/4885
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF PTGES, PTGES3, PTGS1 HDAC6 550/4885HDAC1 2716/4885HDAC3 1397/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 HDAC6 2156/4885HDAC1 2135/4885HDAC3 3014/4885

“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.