SCHEMBL78695

SCHEMBL78695

COc1ccc(P2(=S)SP(=S)(c3ccc(C)cc3)S2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
RELA Q04206 1/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL12999906 0.92 CA1 (0.50) ACHECA12CA1CA2CA7
SCHEMBL7961 0.92 CA1 (0.50) ACHECA12CA1CA2CA7
SCHEMBL10077999 0.83 ESR2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL26234450 0.81 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL13686360 0.80 HTT (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTGAA
SCHEMBL14012625 0.79 CA1 (0.41) ACHECA12CA1CA2CA7
SCHEMBL10224439 0.79 ALDH1A1 (0.42) ACHECA12CA1CA2CA7
SCHEMBL23664313 0.79 APP (0.38) ACHECA12CA1CA2CA7
SCHEMBL12358544 0.79 ALDH1A1 (0.63) RELARAB9ANPC1ALDH1A1ALOX5
SCHEMBL10258334 0.79 ALDH1A1 (0.41) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193365-A1 USE OF HYDROGEN SULFIDE TO PREVENT LENS OPACIFICATION CREIGHTON UNIV (US) 2018-07-12 US disclosed
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 US disclosed
US-9944607-B2 Thiohydantoin derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-17 US disclosed
US-9907854-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2018-03-06 US disclosed
US-9862734-B2 Metal-ligand complex, olefin polymerization catalyst derived therefrom, and olefin polymerization method utilizing the catalyst DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-09 US disclosed
US-9643984-B2 Method for the preparation of [1,2,4]-triazolo[4,3-a]pyridines AMGEN INC. (US) 2017-05-09 US disclosed
US-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2017-03-09 US disclosed
US-9540322-B2 MIF modulators YALE UNIVERSITY (US) 2017-01-10 US disclosed
US-9511150-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2016-12-06 US disclosed
US-20160347769-A1 METHOD FOR THE PREPARATION OF [1,2,4]-TRIAZOLO[4,3-A]PYRIDINES AMGEN INC. 2016-12-01 US disclosed
US-20110245210-A1 THALIDOMIDE ANALOGS The Government of the United States of America, as represented by the Secretary of 2011-10-06 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
US-20110155247-A1 Organic Semiconductors and Devices Incorporating Same FLEXTERRA, INC. 2011-06-30 US disclosed
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-06-02 US disclosed
US-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-04-28 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-7741348-B2 Bisheterocycle tandem compounds useful as antiviral agents, the uses thereof and the compositions comprising such compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-06-22 US disclosed
EP-1902050-B1 OXAZOLIDINONE DERIVATIVES AND USE THEREOF AS ANTIBIOTICS FERRER INT (ES) 2009-09-09 EP disclosed
US-20080306121-A1 Bisheterocycle Tandem Compounds Useful as Antiviral Agents, the Uses Thereof and the Compositions Comprising Such Compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-12-11 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 (12 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-20110155247-A1 Organic Semiconductors and Devices Incorporating Same TST, DDT, TEC ACHE 286/4885RELA 2932/4885CA12 2443/4885
US-20180193365-A1 USE OF HYDROGEN SULFIDE TO PREVENT LENS OPACIFICATION CRYZ, CBS, CRYAA ACHE 1360/4885RELA 2157/4885CA12 652/4885
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ACHE 445/4885RELA 2878/4885CA12 2134/4885
US-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC ACHE 3320/4885RELA 377/4885CA12 1411/4885
US-20180162813-A1 MIF MODULATORS MIF, HMGB2, HMGB3 ACHE 4704/4885RELA 178/4885CA12 3086/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ACHE 2026/4885RELA 1340/4885CA12 4405/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 ACHE 2684/4885RELA 803/4885CA12 3717/4885
US-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CD44, ADH1C, EPCAM ACHE 4005/4885RELA 3820/4885CA12 652/4885
US-20080306121-A1 Bisheterocycle Tandem Compounds Useful as Antiviral Agents, the Uses Thereof and the Compositions Comprising Such Compounds PCNA, HAVCR2, HCCS ACHE 4544/4885RELA 2491/4885CA12 3872/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC ACHE 3320/4885RELA 377/4885CA12 1411/4885
US-20110245210-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, PGF ACHE 2452/4885RELA 15/4885CA12 2950/4885
US-20160347769-A1 METHOD FOR THE PREPARATION OF [1,2,4]-TRIAZOLO[4,3-A]PYRIDINES H1-4, H1-5, H1-3 ACHE 1140/4885RELA 4431/4885CA12 4283/4885

“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.