SCHEMBL7631992

SCHEMBL7631992

CC(=O)OC1=C(C)C(=Cc2ccc(S(C)(=O)=O)cc2)c2cc(F)c(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
EDNRA P25101 1/20 0.50
MAPK1 P28482 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 13/20 0.42

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
SCHEMBL7638119 0.92 CYP1A2 (0.45) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL7636448 0.91 CYP1A2 (0.47) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL5712321 0.89 CYP1A2 (0.65) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL5712304 0.89 CYP1A2 (0.65) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL7638891 0.85 CYP1A2 (0.49) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL7632973 0.85 CYP1A2 (0.47) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL7632024 0.84 CYP1A2 (0.49) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL7637830 0.83 CYP1A2 (0.47) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL9404176 0.83 CYP1A2 (0.47) CYP1A2GLACYP3A4MAPTTSHR
SCHEMBL7930958 0.83 PPARG (0.35) CYP1A2GLACYP3A4MAPTTSHR

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 5 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-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

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 CYP1A2 2296/4885GLA 316/4885CYP3A4 2181/4885

“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.