SCHEMBL2222002

SCHEMBL2222002

CC1=C(CC(=O)O)c2cc(F)c(F)cc2C1=Cc1ccc([S+](C)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.60
RXRA P19793 6/20 0.56
CYP1A2 P05177 3/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP3A4 P08684 2/20 0.55
PMP22 Q01453 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GLA P06280 1/20 0.55
TSHR P16473 1/20 0.55
EDNRA P25101 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTGS2 P35354 2/20 0.54
EGFR P00533 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
DRD1 P21728 1/20 0.54
PTGS1 P23219 1/20 0.54
OPRM1 P35372 1/20 0.54

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
SCHEMBL7630930 1.00 PPARG (0.60) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8681357 1.00 PPARG (0.60) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8681629 0.91 PPARG (0.53) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL2222124 0.91 PPARG (0.53) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8681632 0.91 PPARG (0.53) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL16860059 0.91 PPARG (0.53) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL7937481 0.91 PPARG (0.56) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL15108977 0.90 PPARG (0.73) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL19799190 0.90 PPARG (0.73) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL11866778 0.90 PPARG (0.52) PPARGRXRACYP1A2MAPTMAPK1

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-20160296483-A1 Methods and Pharmaceutical Compositions for Treatment of Cystic Fibrosis INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-10-13 US disclosed
US-9402821-B2 Methods and pharmaceutical compositions for treatment of cystic fibrosis INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-08-02 US disclosed
US-20150182480-A1 Methods and Pharmaceutical Compositions for Treatment of Cystic Fibrosis ASSISTANCE PUBLIQUE-HOPITAUX DE PARIS (FR) 2015-07-02 US disclosed
WO-2011088474-A2 SULINDAC AND SULINDAC DERIVATIVES AND THEIR USES RELATED TO INFECTION Zirus, Inc. (US) 2011-07-21 WO disclosed
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-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-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 (3 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 18/4885RXRA 97/4885CYP1A2 2296/4885
US-20150182480-A1 Methods and Pharmaceutical Compositions for Treatment of Cystic Fibrosis CFTR, LIPA, SLC26A4 PPARG 764/4885RXRA 1401/4885CYP1A2 1131/4885
US-20160296483-A1 Methods and Pharmaceutical Compositions for Treatment of Cystic Fibrosis CFTR, LIPA, SLC26A4 PPARG 764/4885RXRA 1401/4885CYP1A2 1131/4885

“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.