SCHEMBL1071024

SCHEMBL1071024

C=Cc1cc2c(O[C@H]3CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C3)cc(OCC)nc2cc1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
EHMT2 Q96KQ7 3/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
NSD2 O96028 1/20 0.32
ERBB2 P04626 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
TLR9 Q9NR96 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
STING1 Q86WV6 1/20 0.31
HTR3E A5X5Y0 1/20 0.30

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
SCHEMBL1072632 0.85 SMN1; SMN2 (0.36) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12934499 0.80 P2RX3 (0.39) PDE4BPDE4APDE4CPDE4DEHMT2
SCHEMBL2427449 0.80 PIK3CD (0.38) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1073873 0.80 PDE4B (0.35) PDE4BPDE4APDE4CPDE4DSTING1
SCHEMBL1071232 0.75 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3496077 0.75 STING1 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
Hydrochloric Acid SCHEMBL1071132 0.75 HTR3E (0.37) PIK3CDPIK3CAPIK3CBPIK3CGERBB2
Hydrochloric Acid SCHEMBL1071700 0.74 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1274041 0.74 ACACB (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1072461 0.73 SMN1; SMN2 (0.35) PDE4BPDE4APDE4CPDE4DEHMT2

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-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 PDE4B 3086/4885PDE4A 3218/4885PDE4C 3699/4885

“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.