SCHEMBL5054047

SCHEMBL5054047

O=C(NCc1cccs1)c1ccc2c(c1)N=C(c1cccc(F)c1)c1ccccc1S2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.61
POLB P06746 2/20 0.59
CNR2 P34972 2/20 0.53
TP53 P04637 3/20 0.49
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
PLA2G1B P04054 1/20 0.46
HTT P42858 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5062622 0.91 CNR1 (0.70) CNR1POLBCNR2TP53LMNA
SCHEMBL5057242 0.90 CNR1 (0.71) CNR1POLBCNR2TP53LMNA
SCHEMBL5057734 0.87 CNR1 (0.55) CNR1POLBCNR2TP53LMNA
SCHEMBL5058704 0.87 CNR1 (0.58) CNR1POLBCNR2TP53LMNA
SCHEMBL5054126 0.87 CNR1 (0.66) CNR1POLBCNR2TP53LMNA
SCHEMBL5064877 0.86 CNR1 (0.69) CNR1POLBCNR2TP53LMNA
SCHEMBL5057533 0.85 LMNA (0.67) CNR1POLBCNR2LMNAALDH1A1
SCHEMBL13808136 0.84 CNR1 (0.69) CNR1POLBCNR2TP53LMNA
SCHEMBL5058782 0.84 CNR1 (0.58) CNR1POLBCNR2TP53LMNA
SCHEMBL5058674 0.84 CNR1 (0.68) CNR1POLBCNR2TP53LMNA

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 1/4885POLB 4785/4885CNR2 2/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885POLB 4785/4885CNR2 2/4885

“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.