SCHEMBL1498513

SCHEMBL1498513

COC(=O)[C@H]1C[C@H](Sc2cc(F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
GPBAR1 Q8TDU6 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
CETP P11597 1/20 0.33
SCN9A Q15858 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
TLR8 Q9NR97 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1498618 1.00 TDP1 (0.40) TDP1MAPTGPBAR1SMN1; SMN2NOTUM
SCHEMBL1498515 1.00 TDP1 (0.40) TDP1MAPTGPBAR1SMN1; SMN2NOTUM
SCHEMBL1498517 0.84 RXRA (0.36) GPBAR1NOTUMDDB1CRBNPOLB
SCHEMBL12688430 0.83 CHRNB2 (0.34) ALDH1A1
SCHEMBL1498336 0.82 KDM4E (0.41) MAPTSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL1498335 0.82 KDM4E (0.41) MAPTSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL1498388 0.82 KDM4E (0.41) MAPTSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL12692950 0.73 MAPT (0.39) TDP1MAPTGPBAR1NOTUM
SCHEMBL7959820 0.68 TDP1 (0.48) TDP1MAPTCYP3A4KDM4EALDH1A1
SCHEMBL7959825 0.68 TDP1 (0.48) TDP1MAPTCYP3A4KDM4EALDH1A1

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-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
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 TDP1 4184/4885MAPT 3524/4885GPBAR1 756/4885

“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.