SCHEMBL3203511

SCHEMBL3203511

O=Cc1ccc(C(=O)O)c2cc(C(F)(F)F)nn12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.44
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE3A Q14432 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
NOTUM Q6P988 1/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL13425147 0.78 PDE4B (0.72) PDE4B
SCHEMBL3224766 0.78 PDE4B (0.63) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3216854 0.78 PDE4B (0.63) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3222671 0.78 PDE4B (0.64) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3223459 0.77 PDE4B (0.70) PDE4BPDE3A
SCHEMBL3217076 0.77 PDE4B (0.65) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3226368 0.74 PDE4B (0.66) PDE4BPDE3A
SCHEMBL3223888 0.72 PDE4B (0.53) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13425142 0.71 PDE4B (0.31) PDE4BPDE3A
SCHEMBL3222515 0.70 PDE4B (0.42) PDE4BKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 EP 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-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A PDE4B 9/4885KDM4E 749/4885ALDH1A1 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.