SCHEMBL644605

SCHEMBL644605

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
STAT3 P40763 1/20 0.51
PPARG P37231 3/20 0.50
PPARA Q07869 1/20 0.50
MCHR1 Q99705 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
RARB P10826 3/20 0.49
MAPT P10636 5/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.47
XDH P47989 1/20 0.46
PLK1 P53350 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL641436 0.91 NR1H4 (0.58) SMN1; SMN2PPARGPPARAMCHR1NR1H4
SCHEMBL643560 0.86 SMN1; SMN2 (0.58) LMNASMN1; SMN2STAT3MCHR1NR1H4
SCHEMBL643445 0.85 SMN1; SMN2 (0.59) LMNASMN1; SMN2STAT3PPARGPPARA
SCHEMBL642660 0.85 LMNA (0.47) LMNASMN1; SMN2STAT3PPARGPPARA
SCHEMBL641397 0.85 MCHR1 (0.48) LMNASMN1; SMN2STAT3PPARGPPARA
SCHEMBL642515 0.83 LMNA (0.46) LMNASMN1; SMN2STAT3PPARGPPARA
SCHEMBL643822 0.83 PLK1 (0.57) PPARGPPARAMCHR1NR1H4RARB
SCHEMBL644604 0.81 SMN1; SMN2 (0.56) LMNASMN1; SMN2STAT3PPARGMCHR1
SCHEMBL642998 0.80 NR1H4 (0.56) PPARANR1H4RARBMAPTPLK1
SCHEMBL641483 0.79 SMN1; SMN2 (0.57) LMNASMN1; SMN2STAT3MCHR1NR1H4

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 9 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
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 LMNA 1589/4885SMN1; SMN2 774/4885STAT3 4828/4885

“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.