SCHEMBL20868170

SCHEMBL20868170

CC1(C)OB(c2ccc(CSc3nc(=O)c4c(n3CC(=O)O)CCCC4)cc2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 11/20 0.53
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
PTGDR2 Q9Y5Y4 6/20 0.40
CXCR2 P25025 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL20867851 0.99 PLA2G7 (0.54) PLA2G7CYP3A4CYP2D6PTGDR2CXCR2
SCHEMBL20868001 0.88 PLA2G7 (0.71) PLA2G7CYP3A4CYP2D6CXCR2
SCHEMBL20855983 0.87 PLA2G7 (0.73) PLA2G7CYP3A4CYP2D6
SCHEMBL20868287 0.84 PLA2G7 (0.40) PLA2G7PTGDR2CXCR2KDM4EMEN1
SCHEMBL24200493 0.83 PLA2G7 (0.50) PLA2G7CYP3A4CYP2D6KDM4EHTT
SCHEMBL3542421 0.81 PLA2G7 (0.72) PLA2G7CYP3A4CYP2D6PTGDR2
SCHEMBL30579901 0.81 PLA2G7 (0.53) PLA2G7CYP3A4CYP2D6
SCHEMBL26340188 0.77 PLA2G7 (0.73) PLA2G7CYP3A4CYP2D6
SCHEMBL20856595 0.77 PLA2G7 (0.80) PLA2G7CYP3A4CYP2D6
SCHEMBL26338749 0.76 PLA2G7 (0.72) PLA2G7CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-09-28 US disclosed
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-09-28 US disclosed
US-11583596-B2 Radiolabeled Darapladib and analogs thereof and their use as imaging compounds INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-02-21 US disclosed
EP-3687980-B1 RADIOLABELED DARAPLADIB, ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INST NAT SANTE RECH MED (FR) 2022-01-19 EP disclosed
US-20200276337-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-09-03 US disclosed
WO-2019063634-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-04-04 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 (3 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-11583596-B2 Radiolabeled Darapladib and analogs thereof and their use as imaging compounds PLA2G4B, PLA2G1B, PLA2G12B PLA2G7 30/4885CYP3A4 4428/4885CYP2D6 3516/4885
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B PLA2G7 30/4885CYP3A4 4428/4885CYP2D6 3516/4885
US-20200276337-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B PLA2G7 30/4885CYP3A4 4428/4885CYP2D6 3516/4885

“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.