SCHEMBL6250163

SCHEMBL6250163

CC(=O)Oc1ccccc1CCSCCc1ccccc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL6251319 0.90 PTGS2 (0.51) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL6248486 0.89 PTGS2 (0.51) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL6249982 0.87 PPARG (0.53) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL6534979 0.87 PPARG (0.53) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL6535016 0.87 PPARG (0.53) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL6248971 0.87 PPARG (0.53) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL6247832 0.87 PPARG (0.53) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL11589528 0.87 PTGS2 (0.55) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL16065424 0.84 PPARG (0.59) PTGS2KDM4EALDH1A1ESR1ITGB3
SCHEMBL7984319 0.82 PTGS2 (0.52) PTGS2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958275-A4 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 UNIV VANDERBILT (US) 2004-12-01 EP claimed
US-6284918-B1 ENZYME INHIBITORS VANDERBILT UNIVERSITY 2001-09-04 US claimed
EP-0958275-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1999-11-24 EP claimed
US-5973191-A AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE VANDERBILT UNIVERSITY (US) 1999-10-26 US claimed
WO-1998029382-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1998-07-09 WO claimed
EP-1194141-B1 ANTIVIRAL THERAPY UNIV MEDISCH CENTRUM UTRECHT (NL) 2005-08-17 EP disclosed
US-20050059745-A1 Antiviral therapy MARIA NOTTET JOHANNES SERVATIU (NL) 2005-03-17 US disclosed
EP-0958275-A4 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 UNIV VANDERBILT (US) 2004-12-01 EP disclosed
WO-2004076687-A1 METHOD FOR DETERMINING ANTIVIRAL ACTIVITY OF AHPS RELATED COMPOUNDS UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2004-09-10 WO disclosed
US-6787573-B2 THERAPY FOR DRUG RESISTANT VIRUS UNIVERSITEIT UTRECHT (NL) 2004-09-07 US disclosed
EP-1452605-A1 Method for determining antiviral activity Universiteit Utrecht Holding B.V. (NL) 2004-09-01 EP disclosed
EP-1263429-B1 ANTIVIRAL THERAPY UNIV UTRECHT (NL) 2004-07-14 EP disclosed
EP-1194141-A1 ANTIVIRAL THERAPY Universitair Medisch Centrum Utrecht (NL) 2002-04-10 EP disclosed
WO-2001068086-A1 ANTIVIRAL THERAPY UNIVERSITEIT UTRECHT (NL) 2001-09-20 WO disclosed
US-6284918-B1 ENZYME INHIBITORS VANDERBILT UNIVERSITY 2001-09-04 US disclosed
WO-2001001985-A1 ANTIVIRAL THERAPY UNIVERSITAIR MEDISCH CENTRUM UTRECHT (NL) 2001-01-11 WO disclosed
EP-1064940-A1 Antiviral therapy Universitair Medisch Centrum Utrecht (NL) 2001-01-03 EP disclosed
EP-0958275-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1999-11-24 EP disclosed
US-5973191-A AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE VANDERBILT UNIVERSITY (US) 1999-10-26 US disclosed
WO-1998029382-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1998-07-09 WO 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 (1 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-20050059745-A1 Antiviral therapy ZC3HAV1, EIF2AK2, MAVS PTGS2 4159/4885KDM4E 3154/4885ALDH1A1 1768/4885

“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.