SCHEMBL3222671

SCHEMBL3222671

CNc1ccc(C(=O)O)c2cc(C(F)(F)F)nn12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.64
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 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
SCHEMBL3224766 0.81 PDE4B (0.63) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3222508 0.80 PDE4B (0.45) PDE4BKDM4EALDH1A1
SCHEMBL3217076 0.80 PDE4B (0.65) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3223459 0.80 PDE4B (0.70) PDE4B
SCHEMBL13425139 0.79 PDE4B (1.00) PDE4B
SCHEMBL3216854 0.78 PDE4B (0.63) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3203511 0.78 PDE4B (0.44) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4115895 0.77 PDE4B (0.73) PDE4B
SCHEMBL2170575 0.77 PDE4B (0.53) PDE4B
SCHEMBL12334435 0.77 PDE4B (0.50) PDE4BKDM4E

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-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-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.