SCHEMBL2114286

SCHEMBL2114286

Cc1ccc(S(=O)(=O)CC2CCCOC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.45
AOC2 O75106 2/20 0.44
MAOA P21397 2/20 0.44
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC12A2 P55011 1/20 0.42
SLC12A5 Q9H2X9 1/20 0.42
ACHE P22303 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 1/20 0.39
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2114546 0.91 AOC2 (0.51) CRBNAOC2MAOAALDH1A1CYP3A4
SCHEMBL25961992 0.84 ALDH1A1 (0.47) CRBNAOC2MAOAALDH1A1POLB
SCHEMBL6825585 0.82 CRBN (0.53) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6822328 0.82 CRBN (0.53) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1192284 0.81 SLC12A2 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19SLC12A2
SCHEMBL30367273 0.81 SLC12A2 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19SLC12A2
SCHEMBL16179163 0.81 KCNH2 (0.50) CRBNAOC2MAOAALDH1A1CYP3A4
SCHEMBL10228581 0.80 ALDH1A1 (0.53) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1782820 0.78 CRBN (0.55) CRBNALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9915242 0.75 SLC12A2 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19SLC12A2

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 CRBN 1240/4885AOC2 3857/4885MAOA 3031/4885

“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.