SCHEMBL643495

SCHEMBL643495

CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3cccc(C(F)(F)P(=O)(OC)OCC)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.43
RARB P10826 3/20 0.42
MCHR1 Q99705 4/20 0.42
CACNA1B Q00975 3/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
BCL2 P10415 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL641373 0.96 RARB (0.44) LTB4R2RARBMCHR1CACNA1BCYP2D6
SCHEMBL641495 0.90 LTB4R2 (0.46) LTB4R2RARBMCHR1CACNA1BCYP2D6
SCHEMBL641454 0.90 MCHR1 (0.48) RARBMCHR1THRATHRBTP53
SCHEMBL642625 0.88 RARB (0.47) LTB4R2RARBMCHR1CACNA1BCYP2D6
SCHEMBL643774 0.85 MCHR1 (0.48) RARBMCHR1THRATHRBTP53
SCHEMBL641453 0.84 RARB (0.44) RARBMCHR1THRATHRBTP53
SCHEMBL641374 0.82 RARB (0.41) LTB4R2RARBMCHR1CACNA1BCYP2D6
SCHEMBL642399 0.79 RARB (0.47) RARBMCHR1THRATHRBTP53
SCHEMBL642507 0.78 NR1H4 (0.58) RARBTHRBTP53
SCHEMBL643717 0.77 MCHR1 (0.51) RARBMCHR1THRATHRBTP53

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
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP claimed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US claimed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 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 (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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 LTB4R2 1758/4885RARB 4739/4885MCHR1 2167/4885

“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.