SCHEMBL7632048

SCHEMBL7632048

COc1ccc2c(c1)C(CC(=O)O)=C(C)C2=Cc1ccc(SC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.72
CYP1A2 P05177 3/20 0.72
MAPT P10636 3/20 0.72
MAPK1 P28482 3/20 0.72
PTGS2 P35354 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
EGFR P00533 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
DRD1 P21728 1/20 0.72
PTGS1 P23219 1/20 0.72
OPRM1 P35372 1/20 0.72
PSEN1 P49768 1/20 0.72
PSEN2 P49810 1/20 0.72
APH1B Q8WW43 1/20 0.72
NCSTN Q92542 1/20 0.72
APH1A Q96BI3 1/20 0.72
PSENEN Q9NZ42 1/20 0.72
CYSLTR1 Q9Y271 1/20 0.72
PTGDR2 Q9Y5Y4 1/20 0.72
RXRA P19793 6/20 0.59

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
SCHEMBL8142250 1.00 PPARG (0.72) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL8142252 1.00 PPARG (0.72) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL8150057 0.91 PPARG (0.60) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL8150061 0.91 PPARG (0.60) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL8150063 0.91 PPARG (0.60) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL7630967 0.90 RXRA (0.60) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL8681652 0.89 PPARG (0.64) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL8681649 0.89 PPARG (0.64) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL21845816 0.87 PPARG (0.59) PPARGCYP1A2MAPTMAPK1PTGS2
SCHEMBL29546935 0.87 PPARG (0.59) PPARGCYP1A2MAPTMAPK1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020107248-A1 Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof OSI PHARMACEUTICALS, INC. 2002-08-08 US disclosed
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed
US-6028116-A Substituted condensation products of 1H-indenyl-hydroxyalkanes with aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-02-22 US disclosed
US-5776962-A Lactone compounds for treating patient with precancerous lesions CELL PATHWAYS, INC. (US) 1998-07-07 US disclosed
US-5696159-A Lactone compounds for treating patients with precancerous lesions CELL PATHWAYS, INC. (US) 1997-12-09 US disclosed
US-5643959-A Method for treating patients with precancerous lesions by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof CELL PATHWAYS, INC. (US) 1997-07-01 US disclosed
EP-0723442-A4 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS INC (US) 1997-06-11 EP disclosed
EP-0723442-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-07-31 EP disclosed
WO-1996003987-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-02-15 WO disclosed
EP-0508586-B1 Substituted indenyl compounds FGN INC (US) 1995-05-31 EP disclosed
US-5401774-A Treatment of potentially cancerous growths UNIVERSITY OF ARIZONA (US) 1995-03-28 US disclosed
EP-0508586-A1 Substituted indenyl compounds FGN, INC. (US) 1992-10-14 EP disclosed
EP-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 EP 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-20020107248-A1 Method for treating patients with neoplasia by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof VHL, IDH3A, GLI2 PPARG 18/4885CYP1A2 2296/4885MAPT 4603/4885

“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.