SCHEMBL1498517

SCHEMBL1498517

O=C(O)C1CC(Sc2cc(F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
RIPK1 Q13546 1/20 0.34
NOTUM Q6P988 2/20 0.33
FFAR1 O14842 1/20 0.32
CES2 O00748 1/20 0.32
GPBAR1 Q8TDU6 3/20 0.32
OAT P04181 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR1 P21453 1/20 0.31
GRK5 P34947 1/20 0.31

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
SCHEMBL1498515 0.84 TDP1 (0.40) DDB1CRBNPOLBNOTUMGPBAR1
SCHEMBL1498618 0.84 TDP1 (0.40) DDB1CRBNPOLBNOTUMGPBAR1
SCHEMBL1498513 0.84 TDP1 (0.40) DDB1CRBNPOLBNOTUMGPBAR1
SCHEMBL1498284 0.68 NOTUM (0.49) POLBNOTUMCES2S1PR5S1PR1
SCHEMBL6499990 0.66 FFAR4 (0.58) POLBCYP2C9CYP2C19FFAR4NOTUM
SCHEMBL1498335 0.65 KDM4E (0.41) POLB
SCHEMBL1498388 0.65 KDM4E (0.41) POLB
SCHEMBL38656819 0.64 NOTUM (0.49) POLBNOTUMCES2
SCHEMBL1498528 0.64 RXRA (0.43) RXRARXRBRXRGCYP2C19FFAR4
SCHEMBL23717347 0.63 FFAR4 (0.34) RXRARXRBRXRGFFAR4CES2

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-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 RXRA 3745/4885RXRB 2637/4885RXRG 3835/4885

“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.