SCHEMBL1498336

SCHEMBL1498336

COC(=O)[C@H]1C[C@H](Sc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 4/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
XBP1 P17861 1/20 0.39
GUSB P08236 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1498388 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL1498335 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL1498515 0.82 TDP1 (0.40) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL1498513 0.82 TDP1 (0.40) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL1498618 0.82 TDP1 (0.40) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL1498500 0.81 MEN1 (0.44) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL1498502 0.81 MEN1 (0.44) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL17161190 0.80 MEN1 (0.39) KDM4EALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL20790978 0.79 CYP1A2 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL30525085 0.79 CYP1A2 (0.47) ALDH1A1KMT2AMEN1

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 5 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
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
EP-2477963-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2012-07-25 EP 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 KDM4E 3871/4885ALDH1A1 588/4885SMN1; SMN2 1699/4885

“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.