SCHEMBL7030219

SCHEMBL7030219

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 7/20 0.38
AR P10275 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 3/20 0.34
SYK P43405 1/20 0.34
EPHX2 P34913 1/20 0.33
HAO1 Q9UJM8 1/20 0.32

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
SCHEMBL1349437 0.80 MAPT (0.47) MAPTALDH1A1AR
SCHEMBL7030833 0.77 CA1 (0.44) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL7024718 0.74 KDM4E (0.35) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL7258141 0.72 HPGD (0.55) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL7030222 0.72 PTGS2 (0.41) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL7254570 0.68 PTGS2 (0.43) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL6121460 0.66 CA1 (0.52) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL10528160 0.66 ALDH1A1 (0.50) ALDH1A1PTGS2PTGS1HAO1
SCHEMBL10300271 0.66 ALDH1A1 (0.50) ALDH1A1PTGS2PTGS1HAO1
SCHEMBL7260584 0.65 KDM4E (0.43) MAPTKDM4EALDH1A1GLAGAA

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 MAPT 4419/4885KDM4E 4274/4885ALDH1A1 247/4885

“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.