SCHEMBL7022294

SCHEMBL7022294

CSc1ccc(-c2cc(C)oc(=O)c2-c2cccc(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
PGR P06401 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL7029451 0.87 PTGS1 (0.43) PTGS2
SCHEMBL7024957 0.85 PTGS2 (0.49) PTGS2
SCHEMBL7254588 0.85 PTGS2 (0.47) PTGS2
SCHEMBL5708983 0.81 PTGS2 (0.67) PTGS2
SCHEMBL7259908 0.81 PTGS2 (0.46) PTGS2ALDH1A1
SCHEMBL7254196 0.81 MAPK13 (0.39) PTGS2MAPK13MAPK12MAPK11MAPK14
SCHEMBL7154393 0.79 MAOA (0.42) PTGS2
SCHEMBL7255520 0.79 PTGS2 (0.36) PTGS2ALDH1A1ESR1AR
SCHEMBL7028615 0.73 RAB9A (0.41) PTGS2ALDH1A1AR
SCHEMBL7027922 0.72 PTGS2 (0.46) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299372-A1 PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 2003-04-09 EP disclosed
US-6465509-B2 FOR THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT MERCK FROSST CANADA & CO. (CA) 2002-10-15 US disclosed
US-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent MERCK FROSST CANADA LTD. (CA) 2002-05-16 US disclosed
WO-2002002547-A1 PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 2002-01-10 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-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent PTGS1, PTGES2, PTGS2 PTGS2 3/4885MAPK13 3018/4885MAPK12 2389/4885

“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.