Sugi Predict

Sugi Predict / Compounds / SCHEMBL1554080

SCHEMBL1554080

SCHEMBL1554080

N#CCC(=O)c1c(F)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.39
▸ CES1 P23141 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ HK1 P19367 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MCL1 Q07820 2/20 0.33
▸ CA1 P00915 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
SCHEMBL12709971 0.87 MAPT (0.39) ALDH1A1HK1SMN1; SMN2HKDC1MAPT
SCHEMBL12694620 0.86 MAPT (0.37) ALDH1A1HK1SMN1; SMN2HKDC1MAPT
SCHEMBL7001279 0.82 CES2 (0.50) CES2CES1ALDH1A1HK1SMN1; SMN2
SCHEMBL25992038 0.82 CA1 (0.47) CES2CES1ALDH1A1HK1SMN1; SMN2
SCHEMBL25992037 0.77 MCL1 (0.39) CES2CES1ALDH1A1HK1SMN1; SMN2
SCHEMBL16563485 0.75 KMT2A (0.52) CES2CES1ALDH1A1MAPTGAA
SCHEMBL30394883 0.75 KMT2A (0.52) CES2CES1ALDH1A1MAPTGAA
SCHEMBL3563696 0.74 CES2 (0.55) CES2CES1ALDH1A1MAPTKDM4E
SCHEMBL12709975 0.73 CYP3A4 (0.39) ALDH1A1HK1SMN1; SMN2HKDC1MAPT
SCHEMBL25992447 0.73 CYP1A2 (0.36) CES2CES1ALDH1A1HK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488519-B1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PF MEDICAMENT (FR) 2015-06-10 — — EP disclosed
EP-2488519-B1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PF MEDICAMENT (FR) 2015-06-10 — — EP disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 — — US disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 — — US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 — — US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 — — US disclosed
EP-2488519-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT Pierre Fabre Médicament (FR) 2012-08-22 — — EP disclosed
WO-2011045344-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2011-04-21 — — WO disclosed
WO-2011045344-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2011-04-21 — — 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-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 CES2 4189/4885CES1 3253/4885ALDH1A1 170/4885

“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.