SCHEMBL17456934

SCHEMBL17456934

COC(=O)c1ccc2c([S+](C)[O-])cn(-c3ncc(-c4ccccc4F)cn3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DGAT2 Q96PD7 4/20 0.38

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
SCHEMBL17443931 0.91 DGAT2 (0.38) PDE4BNPC1RAB9ADGAT2
SCHEMBL20594226 0.90 RAB9A (0.40) PDE4BNPC1RAB9ADGAT2
SCHEMBL17443644 0.90 PDE4B (0.40) PDE4BDGAT2
SCHEMBL17443778 0.89 PDE4B (0.52) PDE4BDGAT2
SCHEMBL17443784 0.88 PDE4B (0.43) PDE4B
SCHEMBL17443833 0.87 PDE4B (0.56) PDE4B
SCHEMBL17456970 0.86 NPC1 (0.44) PDE4BNPC1RAB9ADGAT2
SCHEMBL17456980 0.86 NPSR1 (0.48) PDE4BDGAT2
SCHEMBL17456895 0.86 PDE4B (0.53) PDE4B
SCHEMBL17450580 0.85 PDE4B (0.45) PDE4BDGAT2

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-3415509-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE INHIBITORS Grünenthal GmbH (DE) 2018-12-19 EP disclosed
US-9315490-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-04-19 US disclosed
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines GRUENENTHAL GMBH (DE) 2016-01-28 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-20160024053-A1 Novel 2,5-Substituted Pyrimidines PDE4B, PDE4A, PDE12 PDE4B 1/4885NPC1 2794/4885RAB9A 3356/4885

“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.