SCHEMBL13465151

SCHEMBL13465151

COC(=O)CC1=C(C)/C(=C/c2ccc(S)cc2)c2ccc(OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.50
RXRA P19793 5/20 0.49
MAPT P10636 5/20 0.43
CYP1A2 P05177 3/20 0.43
MAPK1 P28482 3/20 0.43
PTGS2 P35354 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
EGFR P00533 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD1 P21728 1/20 0.43
PTGS1 P23219 1/20 0.43
OPRM1 P35372 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL8432681 0.85 PPARG (0.52) PPARGRXRAMAPTMAPK1KMT2A
SCHEMBL16656483 0.85 PPARG (0.47) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL10603249 0.85 CA2 (0.53) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL8430295 0.84 CYP1A2 (0.48) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL10736403 0.83 TSHR (0.47) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL8430755 0.82 HSD17B10 (0.46) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL13448812 0.81 PPARG (0.53) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL8681652 0.80 PPARG (0.64) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL8681649 0.80 PPARG (0.64) PPARGRXRAMAPTCYP1A2MAPK1
SCHEMBL8150041 0.79 PPARG (0.72) PPARGRXRAMAPTCYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263650-A1 NITROXIDE MODIFIED NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND USES THEREOF IN THE TREATMENT AND PREVENTION OF DISEASES OR DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-10-18 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 (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-20120263650-A1 NITROXIDE MODIFIED NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND USES THEREOF IN THE TREATMENT AND PREVENTION OF DISEASES OR DISORDERS NOS1, NOS3, PTGS1 PPARG 1427/4885RXRA 1437/4885MAPT 4694/4885

“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.