SCHEMBL6207074

SCHEMBL6207074

COc1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(OCCNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 1/20 0.41
PPARD Q03181 4/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
ROS1 P08922 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 1/20 0.39
RPS6KA3 P51812 1/20 0.39

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
SCHEMBL6207411 0.89 PPARD (0.41) ALDH1A1KMT2AMEN1HTTPPARD
SCHEMBL6207503 0.85 PPARD (0.40) ALDH1A1KMT2AMEN1PPARDPTGDR2
SCHEMBL6539106 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HTTPPARD
SCHEMBL6540419 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HTTPPARD
SCHEMBL6206961 0.83 MTNR1A (0.44) ALDH1A1KMT2AMEN1PPARDKDM4E
SCHEMBL6236506 0.82 PPARD (0.43) ALDH1A1KMT2AMEN1PPARDKDM4E
SCHEMBL6540181 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HTTPPARD
SCHEMBL6540424 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HTTPPARD
SCHEMBL6232537 0.82 KMT2A (0.41) ALDH1A1KMT2AMEN1PPARDKDM4E
SCHEMBL6539157 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1HTTPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 ALDH1A1 163/4885KMT2A 3081/4885MEN1 4420/4885

“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.