SCHEMBL17476930

SCHEMBL17476930

COc1ccc(-c2nc3c(c(OS(=O)(=O)C(F)(F)F)n2)C[SH](O)(=NC(=O)C(F)(F)F)C3)cc1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 14/20 0.36
▸ PDE4D Q08499 9/20 0.35
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ ABHD6 Q9BV23 1/20 0.31

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
SCHEMBL17476929 0.80 PDE4B (0.38) PDE4BPDE4DLMNAMAPK1HTT
SCHEMBL16446615 0.72 PDE4B (0.38) PDE4BLMNAHTTPTGS2PTGS1
SCHEMBL16446713 0.71 PDE4B (0.47) PDE4BPDE4DPTGS2PTGS1ABHD6
SCHEMBL17476953 0.70 PDE4B (0.40) PDE4BPDE4D
SCHEMBL14511809 0.62 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL15924860 0.62 PDE4B (0.53) PDE4BPDE4DLMNAMAPK1HTT
SCHEMBL22444694 0.61 MAPK1 (0.47) LMNAMAPK1HTTRAB9APTGS2
SCHEMBL2124871 0.61 DGAT1 (0.54) —
SCHEMBL17493551 0.59 NR4A2 (0.43) PTGS2PTGS1
SCHEMBL6134609 0.59 NOTUM (0.50) LMNAMAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986600-B1 SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-07-05 — — EP disclosed
US-9527832-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2016-12-27 — — US disclosed
US-20160031857-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-02-04 — — 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-20160031857-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS TYMP, PDE4A, DPYD PDE4B 4/4885PDE4D 8/4885LMNA 2348/4885

“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.

Send feedback