SCHEMBL2632449

SCHEMBL2632449

Cc1ccc(S(=O)(=O)O[C@H]2CCCCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 3/20 0.42
TP53 P04637 1/20 0.42
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
ENPP2 Q13822 2/20 0.41
ADORA3 P0DMS8 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10809927 1.00 CYP2D6 (0.47) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL12204577 1.00 CYP2D6 (0.47) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
Hydrogen Sulfide SCHEMBL3623091 0.98 CYP2D6 (0.46) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL10810981 0.98 CYP2D6 (0.46) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL10814260 0.95 CYP2D6 (0.48) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL2632440 0.85 CYP2D6 (0.45) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL12204220 0.85 CYP2D6 (0.45) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL8744474 0.78 CYP2D6 (0.60) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL777214 0.78 CYP2D6 (0.63) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL8744470 0.78 CYP2D6 (0.60) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163938-B2 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2012-04-24 US disclosed
EP-1666459-B1 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP (CA) 2011-10-19 EP disclosed
EP-2298735-A1 Aminocyclohexyl ether compounds and uses thereof Cardiome Pharma Corp. (CA) 2011-03-23 EP disclosed
US-20110004006-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2011-01-06 US disclosed
US-20070254945-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2007-11-01 US disclosed
US-20070099983-A1 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2007-05-03 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 (3 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-20110004006-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF KCNH2, KCNC1, KCNH3 CYP2D6 58/4885CYP1A2 115/4885ALDH1A1 1102/4885
US-20070254945-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF KCNH2, KCNC1, KCNH3 CYP2D6 58/4885CYP1A2 115/4885ALDH1A1 1102/4885
US-20070099983-A1 Aminocyclohexyl ether compounds and uses thereof KCNH2, KCNC1, KCNH3 CYP2D6 58/4885CYP1A2 115/4885ALDH1A1 1102/4885

“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.