SCHEMBL5963985

SCHEMBL5963985

Cc1ccsc1-c1ccc(C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
CYP2A6 P11509 11/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2E1 P05181 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PGR P06401 2/20 0.43
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TYR P14679 1/20 0.36
CYP2A13 Q16696 1/20 0.36
PTGS2 P35354 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
SCHEMBL13130594 0.83 CYP2A6 (0.61) PTGS1CYP2A6CYP3A4CYP2B6CYP2C19
SCHEMBL10829180 0.82 CYP2A6 (0.48) PTGS1CYP2A6CYP3A4CYP2B6CYP2C19
SCHEMBL1661929 0.79 PTGS1 (0.71) PTGS1CYP2A6PTGS2
SCHEMBL8076141 0.77 CYP2A6 (0.55) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL15332349 0.77 PTGS1 (0.56) PTGS1CYP2A6ALDH1A1TYRCYP2A13
SCHEMBL4373549 0.77 PTGS1 (0.51) PTGS1CYP2A6BRD4ALDH1A1TYR
SCHEMBL4948071 0.76 PTGS1 (0.54) PTGS1CYP2A6ALDH1A1TYRCYP2A13
SCHEMBL11480738 0.75 CYP2A6 (0.42) PTGS1CYP2A6CYP3A4CYP2B6CYP2C19
SCHEMBL4375211 0.74 PTGS1 (0.53) PTGS1CYP2A6ALDH1A1TYR
SCHEMBL10407505 0.74 CYP2A6 (0.52) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 EP disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 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 (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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain CNR1, CNR2, OPRL1 PTGS1 369/4885CYP2A6 449/4885CYP3A4 887/4885

“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.