SCHEMBL5057294

SCHEMBL5057294

CC(NC(=O)c1ccc2c(c1)N=C(c1ccc(F)cc1)c1ccccc1S2)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.59
TP53 P04637 6/20 0.58
NPC1 O15118 1/20 0.54
CNR2 P34972 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
CSF1R P07333 1/20 0.45
PRKACA P17612 1/20 0.45
FLT1 P17948 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
GSK3A P49840 1/20 0.45

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
SCHEMBL5054009 0.93 TP53 (0.63) CNR1TP53CNR2SMN1; SMN2
SCHEMBL5054184 0.91 TP53 (0.68) CNR1TP53CNR2SMN1; SMN2
SCHEMBL13807922 0.90 CNR1 (0.63) CNR1TP53CNR2SMN1; SMN2
SCHEMBL5057204 0.89 TP53 (0.60) CNR1TP53NPC1CNR2SMN1; SMN2
SCHEMBL5054177 0.86 TP53 (0.68) CNR1TP53CNR2SMN1; SMN2
SCHEMBL5062645 0.85 CNR1 (0.73) CNR1TP53CNR2SMN1; SMN2
SCHEMBL5058670 0.84 TP53 (0.69) CNR1TP53NPC1CNR2SMN1; SMN2
SCHEMBL13808030 0.84 CNR1 (0.65) CNR1TP53CNR2SMN1; SMN2
SCHEMBL13808249 0.84 CNR1 (0.74) CNR1TP53CNR2SMN1; SMN2
SCHEMBL14043593 0.83 CNR1 (0.58) CNR1TP53CNR2SMN1; SMN2

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 9 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
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH CNR1 1/4885TP53 4870/4885NPC1 225/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885TP53 4870/4885NPC1 225/4885

“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.