SCHEMBL6277754

SCHEMBL6277754

COc1ccc(-c2nc(C#N)oc2-c2ccc(OCCNC(=O)O)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.43
LRRK2 Q5S007 1/20 0.40
MMP3 P08254 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
RCE1 Q9Y256 1/20 0.39
CNR1 P21554 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SCN9A Q15858 1/20 0.38
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6540512 0.92 SCN9A (0.41) PPARDLRRK2MMP3MTNR1AMTNR1B
SCHEMBL6539408 0.89 CA12 (0.43) PPARDLRRK2MMP3RCE1
SCHEMBL6540528 0.85 ALDH1A1 (0.38) PPARDLRRK2RCE1TAAR1SCN9A
SCHEMBL6272841 0.84 PPARD (0.43) PPARDMTNR1AMTNR1BRCE1CNR1
SCHEMBL6540560 0.83 ATR (0.38) PPARDLRRK2RCE1TAAR1SCN9A
SCHEMBL6540529 0.82 MTNR1A (0.58) PPARDMMP3MTNR1AMTNR1BCNR1
SCHEMBL6207843 0.82 MEN1 (0.45) PPARDRCE1TAAR1KDM4EMEN1
SCHEMBL6539699 0.79 HPGD (0.43) PPARDRCE1CNR1MEN1ALDH1A1
SCHEMBL6540355 0.78 PPARD (0.48) PPARDRCE1CNR1CDK2GSK3B
SCHEMBL6539800 0.77 PPARD (0.43) PPARDCNR1KDM4EMEN1ALDH1A1

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 PPARD 1747/4885LRRK2 4623/4885MMP3 450/4885

“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.