SCHEMBL20867969

SCHEMBL20867969

CC1(C)OB(c2ccc(CSc3nc(=O)c4c([nH]3)CCCC4)cc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
MMP13 P45452 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 3/20 0.40
CXCR2 P25025 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LPL P06858 5/20 0.38
LIPG Q9Y5X9 5/20 0.38
TSHR P16473 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
SCHEMBL20867850 0.99 MMP13 (0.45) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL26340070 0.79 HPGD (0.66) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL3583064 0.77 MAPT (0.64) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL4381940 0.72 HPGD (0.49) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL20868170 0.71 PLA2G7 (0.53) CXCR2MEN1KMT2A
SCHEMBL20867851 0.71 PLA2G7 (0.54) CXCR2
SCHEMBL20868287 0.67 PLA2G7 (0.40) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL9878956 0.66 ALDH1A1 (0.50) HPGDMAPTLMNAKMT2ATSHR
SCHEMBL4375736 0.66 ALDH1A1 (0.53) HPGDMAPTLMNATP53MEN1
SCHEMBL20868160 0.66 GAA (0.47) HPGDMMP13CYP2C9MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 HPGD 434/4885MMP13 964/4885CYP1A2 2886/4885
US-20200276337-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B HPGD 434/4885MMP13 964/4885CYP1A2 2886/4885

“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.