SCHEMBL643717

SCHEMBL643717

CCCCCCCCOc1ccc(-c2ccc(C(=O)N(C)c3ccc(C(F)(F)P(=O)(O)O)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.51
RARB P10826 3/20 0.50
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PTPN1 P18031 2/20 0.44
PTPN5 P54829 1/20 0.44
PLA2G4B P0C869 1/20 0.44
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPRB P23467 1/20 0.43
PTPN6 P29350 1/20 0.43
CDC25A P30304 1/20 0.43
PTPN11 Q06124 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL643774 0.89 MCHR1 (0.48) MCHR1RARBTSHRTP53THRA
SCHEMBL642625 0.89 RARB (0.47) MCHR1RARBTSHRTP53THRA
SCHEMBL643775 0.87 MCHR1 (0.45) MCHR1RARBTSHRTP53THRA
SCHEMBL641454 0.87 MCHR1 (0.48) MCHR1RARBTSHRTP53THRA
SCHEMBL641470 0.87 RARB (0.47) RARBTSHRTP53PTPN1PTPN5
SCHEMBL642583 0.85 LMNA (0.55) MCHR1RARBTSHRTP53KDM4E
SCHEMBL643451 0.83 RARB (0.49) MCHR1RARBTSHRTP53THRA
SCHEMBL641495 0.80 LTB4R2 (0.46) MCHR1RARBTSHRTP53THRA
SCHEMBL641373 0.79 RARB (0.44) MCHR1RARBTSHRTP53THRA
SCHEMBL641374 0.77 RARB (0.41) MCHR1RARBTSHRTP53THRA

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 MCHR1 2167/4885RARB 4739/4885TSHR 2541/4885

“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.