SCHEMBL6538972

SCHEMBL6538972

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARD Q03181 8/20 0.43
NPC1 O15118 1/20 0.43
CNR1 P21554 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
GSK3B P49841 1/20 0.39
PTGS2 P35354 2/20 0.39
HCAR2 Q8TDS4 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL6540479 1.00 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1NPSR1PPARD
SCHEMBL6540499 0.92 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1NPSR1PPARD
SCHEMBL6540430 0.91 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1NPSR1PPARD
SCHEMBL6538927 0.91 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1NPSR1PPARD
SCHEMBL6232465 0.88 SUCNR1 (0.47) MTNR1AMTNR1B
SCHEMBL6540393 0.88 SUCNR1 (0.47) MTNR1AMTNR1B
SCHEMBL6229912 0.85 PPARD (0.40) ALDH1A1PPARDKMT2AKDM4EMEN1
SCHEMBL6538959 0.85 PPARD (0.40) ALDH1A1PPARDKMT2AKDM4EMEN1
SCHEMBL6538578 0.84 PPARD (0.54) ALDH1A1PPARDKDM4E
SCHEMBL6229835 0.83 KMT2A (0.39) ALDH1A1PPARDKMT2AKDM4EMEN1

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-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 MTNR1A 410/4885MTNR1B 474/4885ALDH1A1 163/4885

“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.