SCHEMBL1301918

SCHEMBL1301918

CC(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)O)cs4)c3c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.74
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 4/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL12108272 0.89 PDE4B (0.60) PDE4BPDE4DALDH1A1CSNK2A2CSNK2B
SCHEMBL1301975 0.85 PDE4B (1.00) PDE4BPDE4DPIM1PIM3PIM2
SCHEMBL1301702 0.85 PDE4B (0.55) PDE4BPDE4DALDH1A1PIM1PIM2
SCHEMBL1301229 0.77 PDE4D (0.75) PDE4BPDE4DIRAK4
SCHEMBL15381131 0.75 PDE4B (1.00) PDE4BPDE4DPIM1PIM2
SCHEMBL1302586 0.74 PDE4B (0.72) PDE4BPDE4DALDH1A1CSNK2A2CSNK2B
SCHEMBL1302743 0.73 PDE4B (0.75) PDE4BPDE4DALDH1A1SMN1; SMN2POLB
SCHEMBL1302031 0.73 PDE4B (0.58) PDE4BPDE4DMAPT
SCHEMBL1302064 0.72 PDE4B (0.79) PDE4BPDE4DALDH1A1PIM1PIM2
SCHEMBL1302486 0.72 PDE4B (0.59) PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US claimed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US claimed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 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-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 4/4885ALDH1A1 439/4885

“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.