SCHEMBL4258802

SCHEMBL4258802

COc1c(C(=O)O)cc(Cl)c2[nH]c(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
DHODH Q02127 11/20 0.41
HSD17B10 Q99714 2/20 0.39
TPMT P51580 1/20 0.38
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13255555 0.89 PARP1 (0.43) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL4261933 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13255558 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13925985 0.82 DHODH (0.44) PDE4APDE4BPDE4CPDE4DDHODH
SCHEMBL13255556 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL13283202 0.80 HTT (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13675182 0.78 ADORA3 (0.37) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL13255361 0.77 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL13672558 0.75 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13255392 0.75 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 US disclosed
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
EP-2033952-A1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity Shionogi&Co., Ltd. (JP) 2009-03-11 EP disclosed
EP-1375486-B1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2008-10-15 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB PDE4A 2768/4885PDE4B 2956/4885PDE4C 2330/4885

“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.