SCHEMBL641397

SCHEMBL641397

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)P(=O)(O)OC(C)CC)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
TP53 P04637 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
RARB P10826 3/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
PLK1 P53350 1/20 0.46
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL642515 0.91 LMNA (0.46) MCHR1LMNASMN1; SMN2STAT3TP53
SCHEMBL642508 0.91 NR1H4 (0.54) MCHR1SMN1; SMN2TP53NR1H4MAPT
SCHEMBL641683 0.87 LMNA (0.51) MCHR1LMNASMN1; SMN2STAT3TP53
SCHEMBL643775 0.87 MCHR1 (0.45) MCHR1TP53RARBPPARGPPARA
SCHEMBL642583 0.86 LMNA (0.55) MCHR1LMNASMN1; SMN2STAT3TP53
SCHEMBL641800 0.86 PLK1 (0.53) NR1H4RARBPLK1PPARGPPARA
SCHEMBL644605 0.85 LMNA (0.51) MCHR1LMNASMN1; SMN2STAT3TP53
SCHEMBL642459 0.84 NR1H4 (0.52) LMNASMN1; SMN2STAT3TP53NR1H4
SCHEMBL643453 0.82 RARB (0.41) TP53RARBPPARGPPARATSHR
SCHEMBL641396 0.82 LMNA (0.52) MCHR1LMNASMN1; SMN2STAT3TP53

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 2167/4885LMNA 1589/4885SMN1; SMN2 774/4885

“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.