SCHEMBL20345839

SCHEMBL20345839

CC(CO)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.54
PTGS2 P35354 2/20 0.54
BCHE P06276 9/20 0.49
MAOA P21397 2/20 0.48
CYP2D6 P10635 4/20 0.47
HTR1A P08908 4/20 0.47
DRD3 P35462 4/20 0.47
CHRM2 P08172 3/20 0.47
ADRA2A P08913 3/20 0.47
CHRM1 P11229 3/20 0.47
DRD1 P21728 3/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
ADRA1A P35348 3/20 0.47
OPRM1 P35372 3/20 0.47
KCNH2 Q12809 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 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
SCHEMBL9331439 0.83 LMNA (0.46) PTGS1PTGS2BCHECYP2D6HTR1A
SCHEMBL9331442 0.83 LMNA (0.46) PTGS1PTGS2BCHECYP2D6HTR1A
SCHEMBL12386881 0.83 PTGS1 (0.51) PTGS1PTGS2BCHEMAOACYP2D6
SCHEMBL9331947 0.82 LMNA (0.41) PTGS1PTGS2BCHECYP2D6HTR1A
SCHEMBL9331955 0.82 LMNA (0.41) PTGS1PTGS2BCHECYP2D6HTR1A
SCHEMBL9759954 0.80 PTGS1 (0.40) PTGS1PTGS2BCHEMAOACYP2D6
SCHEMBL141530 0.79 CHRM2 (0.62) PTGS1PTGS2BCHEMAOACYP2D6
SCHEMBL29754774 0.79 CHRM2 (0.62) PTGS1PTGS2BCHEMAOACYP2D6
SCHEMBL8142099 0.79 PTGS1 (0.59) PTGS1PTGS2BCHEMAOACYP2D6
SCHEMBL5566452 0.78 PTGS1 (0.47) PTGS1PTGS2BCHEMAOACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASE WESTERN RESERVE UNIVERSITY 2018-07-05 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-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER PPP2CA, PPP3CA, PPP4C PTGS1 2582/4885PTGS2 2437/4885BCHE 3347/4885

“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.