SCHEMBL10272097

SCHEMBL10272097

CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCOCC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
HSD17B10 Q99714 5/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
PIK3CA P42336 2/20 0.51
MAPK1 P28482 3/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
MC4R P32245 1/20 0.50
CLK1 P49759 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.47

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
SCHEMBL1284679 0.90 ALDH1A1 (0.53) SIRT2SIRT1HSD17B10KDM4EALDH1A1
SCHEMBL1644191 0.85 PIK3CA (0.50) HSD17B10ALDH1A1PIK3CAMAPK1LMNA
SCHEMBL1285490 0.84 ALDH1A1 (0.50) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL1688404 0.82 HSD17B10 (0.60) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL1688393 0.78 TLR7 (0.54) KDM4EALDH1A1HPGDHTTGAA
SCHEMBL14378324 0.77 ALDH1A1 (0.60) HSD17B10KDM4EALDH1A1HPGDMAPT
SCHEMBL4303881 0.75 TLR7 (0.61) HSD17B10KDM4EGAASMN1; SMN2TDP1
SCHEMBL20098255 0.75 ALOX15 (0.60) HSD17B10KDM4EALDH1A1PIK3CAMAPK1
SCHEMBL1644300 0.74 TLR7 (0.57) MAPTTP53MEN1KMT2A
SCHEMBL1688386 0.73 PIK3CA (0.64) SIRT2SIRT1HSD17B10KDM4EALDH1A1

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 SIRT2 1078/4885SIRT1 942/4885HSD17B10 3107/4885

“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.