SCHEMBL2845003

SCHEMBL2845003

CCC(=O)c1ccc(OC)c2c1nc(C(F)(F)F)n2COC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.40
PDE4A P27815 8/20 0.40
PDE4C Q08493 8/20 0.40
PDE4D Q08499 8/20 0.40
CASR P41180 1/20 0.36
HMGCR P04035 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA9 Q16790 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
SCHEMBL2839681 0.84 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DCASR
SCHEMBL2844910 0.82 PDE4A (0.39) PDE4BPDE4APDE4CPDE4DCASR
SCHEMBL3117891 0.73 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DCASR
SCHEMBL6962818 0.71 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCASR
SCHEMBL13354191 0.70 ALDH1A1 (0.33) PDE4BPDE4APDE4CPDE4DCASR
SCHEMBL3124195 0.70 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHMGCR
SCHEMBL2850671 0.70 PDE4B (0.57) PDE4B
SCHEMBL3118580 0.70 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL2839762 0.68 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL2848037 0.68 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DHMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A PDE4B 6/4885PDE4A 5/4885PDE4C 15/4885

“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.