SCHEMBL2884335

SCHEMBL2884335

CC(=O)Oc1ccccc1C(=O)Oc1ccc(-c2cc(=S)ss2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
HDAC3 O15379 7/20 0.50
HDAC4 P56524 7/20 0.50
HDAC1 Q13547 7/20 0.50
HDAC7 Q8WUI4 7/20 0.50
HDAC2 Q92769 7/20 0.50
HDAC10 Q969S8 7/20 0.50
HDAC11 Q96DB2 7/20 0.50
HDAC8 Q9BY41 7/20 0.50
HDAC6 Q9UBN7 7/20 0.50
HDAC9 Q9UKV0 7/20 0.50
HDAC5 Q9UQL6 7/20 0.50
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PGR P06401 1/20 0.48

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
SCHEMBL15914501 0.87 TRAP1 (0.58) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15267772 0.87 PTGS2 (0.54) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL10045885 0.86 HDAC3 (0.48) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14308726 0.86 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14714191 0.85 HDAC3 (0.46) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15246662 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15267764 0.84 PTGS2 (0.51) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL15914502 0.83 TRAP1 (0.57) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15951657 0.83 MEN1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4749148 0.83 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057139-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS Antibe Therapeutics Inc. (US) 2009-05-13 EP claimed
US-20090036516-A1 COMPOUNDS FOR TREATING METABOLIC SYNDROME CTG PHARMA S.R.L. (IT) 2009-02-05 US claimed
WO-2008009127-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO claimed
US-10450260-B2 NO- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2019-10-22 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
EP-2744487-B1 NO- AND H2S- RELEASING COMPOUNDS UNIV CITY NEW YORK RES FOUND (US) 2016-10-05 EP disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 US disclosed
US-8541398-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2013-09-24 US disclosed
US-8541398-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2013-09-24 US disclosed
US-8541398-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2013-09-24 US disclosed
US-7741359-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2010-06-22 US disclosed
US-7741359-B2 Hydrogen sulfide derivatives of non-steroidal anti-inflammatory drugs ANTIBE THERAPEUTICS INC. (CA) 2010-06-22 US disclosed
EP-2057139-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS Antibe Therapeutics Inc. (US) 2009-05-13 EP disclosed
US-20090036516-A1 COMPOUNDS FOR TREATING METABOLIC SYNDROME CTG PHARMA S.R.L. (IT) 2009-02-05 US disclosed
WO-2008009127-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
WO-2008009127-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-03 US disclosed
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-03 US disclosed
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ANTIBE THERAPEUTICS INC. (CA) 2008-01-03 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 (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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 PTGS2 4/4885HDAC3 1591/4885HDAC4 1329/4885
US-20090036516-A1 COMPOUNDS FOR TREATING METABOLIC SYNDROME GPR119, FABP4, INSR PTGS2 911/4885HDAC3 179/4885HDAC4 844/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PTGS2 9/4885HDAC3 1246/4885HDAC4 1569/4885
US-20080004245-A1 HYDROGEN SULFIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY DRUGS PTGS1, HPGDS, PTGES PTGS2 4/4885HDAC3 996/4885HDAC4 1178/4885
US-10450260-B2 NO- and H2S-releasing compounds NOS2, NOS3, NOS1 PTGS2 9/4885HDAC3 1246/4885HDAC4 1569/4885

“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.