SCHEMBL10097598

SCHEMBL10097598

COCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC(c4ccccc4)C4CC4)cc3)n(C3CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
S1PR3 Q99500 1/20 0.33
AURKA O14965 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MCHR1 Q99705 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
OPRM1 P35372 1/20 0.32
BTK Q06187 2/20 0.32
CCR3 P51677 1/20 0.32
BACE1 P56817 1/20 0.32
GRM4 Q14833 2/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL10097728 0.91 PDGFRB (0.37) PDGFRBCNR1CNR2S1PR3LMNA
SCHEMBL13051956 0.89 NPC1 (0.35) PDGFRBS1PR3MCHR1NPC1
SCHEMBL10097602 0.89 NPC1 (0.35) PDGFRBS1PR3MCHR1NPC1
SCHEMBL10096693 0.89 PDGFRB (0.36) PDGFRBS1PR3AURKALMNATP53
SCHEMBL13151805 0.89 PDGFRB (0.36) PDGFRBCNR1CNR2S1PR3AURKA
SCHEMBL10097555 0.89 NPC1 (0.40) PDGFRBS1PR3EGFRNPC1
SCHEMBL10097600 0.86 SMN1; SMN2 (0.34) PDGFRBS1PR3TP53BACE1NPC1
SCHEMBL13053215 0.86 SMN1; SMN2 (0.34) PDGFRBS1PR3TP53BACE1NPC1
SCHEMBL10097526 0.86 NPC1 (0.39) PDGFRBS1PR3TP53EGFRBACE1
SCHEMBL10097719 0.86 CNR1 (0.33) CNR1CNR2S1PR3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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 (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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PDGFRB 2284/4885CNR1 1791/4885CNR2 2462/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PDGFRB 750/4885CNR1 2056/4885CNR2 2784/4885

“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.