SCHEMBL2114546

SCHEMBL2114546

Cc1ccc(S(=O)(=O)CC2CCOC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.51
MAOA P21397 2/20 0.51
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2114286 0.91 CRBN (0.45) AOC2MAOACRBNALDH1A1CYP3A4
SCHEMBL16179163 0.90 KCNH2 (0.50) AOC2MAOACRBNALDH1A1CYP3A4
SCHEMBL23330140 0.84 AOC2 (0.54) AOC2MAOACYP3A4CYP2C9CYP2C19
SCHEMBL23370039 0.84 AOC2 (0.54) AOC2MAOAKCNH2AKT1PIK3CA
SCHEMBL23370212 0.84 AOC2 (0.54) AOC2MAOAKCNH2AKT1PIK3CA
SCHEMBL30361503 0.84 AOC2 (0.54) AOC2MAOAALDH1A1CYP3A4CYP2C9
SCHEMBL15929766 0.83 AOC2 (0.50) AOC2MAOACRBNALDH1A1GAA
SCHEMBL20751552 0.83 AOC2 (0.50) AOC2MAOACRBNALDH1A1GAA
SCHEMBL16174392 0.83 AOC2 (0.48) AOC2MAOAALDH1A1GAAKDM4E
SCHEMBL1782820 0.81 CRBN (0.55) CRBNALDH1A1CYP3A4CYP2C9CYP2C19

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-8158663-B2 N-[2-thiazolylidene- or 2-oxazolylidene]carbo- or heterocyclecarboxyamides, e.g., 5-chloro-2-methoxy-N-[(2Z)-3-(2-methoxyethyl)-5,5-dimethyl-1,3-thiazolidin-2-ylidene]benzamide; treating neuropathic, nociceptive, and inflammatory pain and immune, respiratory, and cardiovascular disorders ABBOTT LABORATORIES (US) 2012-04-17 US disclosed
WO-2008079687-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 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-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 AOC2 3857/4885MAOA 3031/4885CRBN 1240/4885

“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.