SCHEMBL642625

SCHEMBL642625

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.47
LTB4R2 Q9NPC1 2/20 0.44
GGPS1 O95749 2/20 0.44
MCHR1 Q99705 3/20 0.43
CYP2D6 P10635 1/20 0.42
CACNA1B Q00975 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN1 P18031 1/20 0.41
BCL2 P10415 1/20 0.41
PLA2G4B P0C869 1/20 0.41

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
SCHEMBL641495 0.91 LTB4R2 (0.46) RARBLTB4R2GGPS1MCHR1CYP2D6
SCHEMBL641373 0.90 RARB (0.44) RARBLTB4R2MCHR1CYP2D6CACNA1B
SCHEMBL643717 0.89 MCHR1 (0.51) RARBMCHR1TP53TSHRTHRA
SCHEMBL641374 0.88 RARB (0.41) RARBLTB4R2GGPS1MCHR1CYP2D6
SCHEMBL643451 0.82 RARB (0.49) RARBMCHR1TP53TSHRTHRA
SCHEMBL643442 0.81 NR1H4 (0.61) RARBTP53THRB
SCHEMBL643774 0.79 MCHR1 (0.48) RARBMCHR1TP53TSHRTHRA
SCHEMBL641470 0.78 RARB (0.47) RARBTP53TSHRPTPN5PTPN1
SCHEMBL642583 0.77 LMNA (0.55) RARBMCHR1TP53TSHR
SCHEMBL643775 0.77 MCHR1 (0.45) RARBMCHR1TP53TSHRTHRA

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 8 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-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US 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
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 RARB 4739/4885LTB4R2 1758/4885GGPS1 825/4885

“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.