SCHEMBL641470

SCHEMBL641470

CCCCCCCCOc1ccc(-c2ccc(C(=O)ON(C(=O)c3ccc(-c4ccc(OCCCCCCCC)cc4)cc3)c3ccc(C(F)(F)P(=O)(O)O)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.47
PTPN1 P18031 3/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PTPN5 P54829 1/20 0.41
PLA2G4B P0C869 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
CDC25A P30304 1/20 0.40
PTPN11 Q06124 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL643452 0.90 RARB (0.44) RARBTP53TSHRPLA2G4BHDAC3
SCHEMBL643453 0.88 RARB (0.41) RARBTP53TSHRPLA2G4B
SCHEMBL643717 0.87 MCHR1 (0.51) RARBPTPN1TP53TSHRPTPN5
SCHEMBL641511 0.85 RARB (0.43) RARBTP53TSHRPLA2G4BNFKB1
SCHEMBL641512 0.83 RARB (0.40) RARBTP53TSHRPLA2G4B
SCHEMBL642583 0.79 LMNA (0.55) RARBTP53TSHRPLK1LMNA
SCHEMBL642625 0.78 RARB (0.47) RARBPTPN1TP53TSHRPTPN5
SCHEMBL643774 0.77 MCHR1 (0.48) RARBTP53TSHRPLA2G4BPLK1
SCHEMBL643775 0.75 MCHR1 (0.45) RARBTP53TSHRPLA2G4B
SCHEMBL641454 0.75 MCHR1 (0.48) RARBTP53TSHRPLA2G4BPLK1

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-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP claimed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO claimed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP 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 4739/4885PTPN1 2277/4885TP53 4791/4885

“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.