SCHEMBL5057600

SCHEMBL5057600

O=C(NCCCC(F)(F)F)c1ccc2c(c1)N=C(c1ccc(Cl)c(Cl)c1)c1ccccc1S2

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.79
CNR2 P34972 2/20 0.71
TP53 P04637 4/20 0.52
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 3/20 0.47
PLA2G1B P04054 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL5057176 0.91 CNR1 (0.79) CNR1CNR2TP53NPSR1KDM4E
SCHEMBL5064691 0.89 CNR1 (1.00) CNR1CNR2TP53NPSR1KDM4E
SCHEMBL13808140 0.87 CNR1 (0.91) CNR1CNR2TP53NPSR1ALDH1A1
SCHEMBL5064736 0.87 CNR1 (0.62) CNR1CNR2TP53NPSR1KDM4E
SCHEMBL5062754 0.86 CNR1 (0.75) CNR1CNR2TP53NPSR1KDM4E
SCHEMBL5057636 0.85 CNR1 (0.60) CNR1CNR2TP53NPSR1KDM4E
SCHEMBL5058724 0.85 CNR1 (0.59) CNR1CNR2TP53NPSR1KDM4E
SCHEMBL13807830 0.85 CNR1 (0.80) CNR1CNR2TP53NPSR1KDM4E
SCHEMBL14043614 0.85 CNR1 (0.63) CNR1CNR2TP53NPSR1KDM4E
SCHEMBL14205885 0.84 CNR1 (0.70) CNR1CNR2TP53NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 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-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885TP53 4870/4885

“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.