SCHEMBL12692995

SCHEMBL12692995

CN(C(=O)CN[C@H]1CC[C@@H](CS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ CACNA1B Q00975 1/20 0.45
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL12542386 1.00 CCR2 (0.47) CCR2JAK2TYK2JAK3CACNA1B
SCHEMBL12542382 1.00 CCR2 (0.47) CCR2JAK2TYK2JAK3CACNA1B
SCHEMBL12543356 0.87 CCR2 (0.47) CCR2JAK2TYK2JAK3CACNA1B
SCHEMBL12543355 0.87 CCR2 (0.47) CCR2JAK2TYK2JAK3CACNA1B
SCHEMBL12688736 0.87 KDM4E (0.37) CCR2
SCHEMBL12688542 0.86 CCR2 (0.43) CCR2CACNA1BCYP3A4CYP2C19CYP2D6
SCHEMBL12542081 0.86 CCR2 (0.43) CCR2CACNA1BCYP3A4CYP2C19CYP2D6
SCHEMBL12542083 0.86 CCR2 (0.43) CCR2CACNA1BCYP3A4CYP2C19CYP2D6
SCHEMBL12541766 0.84 CCR2 (0.49) CCR2CACNA1BCYP3A4CYP2C19
SCHEMBL12541768 0.84 CCR2 (0.49) CCR2CACNA1BCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 — — US disclosed
WO-2011035159-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-24 — — 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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A CCR2 2244/4885JAK2 2406/4885TYK2 2700/4885

“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.

Send feedback