SCHEMBL68754

SCHEMBL68754

CC(C[NH])NC(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TACR3 P29371 1/20 0.32
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL68679 0.82
SCHEMBL12283123 0.80 ALOX15 (0.39) ALOX15HTTTSHRSMN1; SMN2HPGD
SCHEMBL14626185 0.80 MMP1 (0.47) ALOX15HTTTSHRSMN1; SMN2RAB9A
SCHEMBL23479938 0.80 MMP1 (0.47) ALOX15HTTTSHRSMN1; SMN2RAB9A
SCHEMBL68755 0.78 ALOX15 (0.38) ALOX15HTTTSHRSMN1; SMN2HPGD
SCHEMBL14591085 0.78 FOLH1 (0.40) ALOX15HTTTSHRSMN1; SMN2HPGD
SCHEMBL15715052 0.77 ALOX15 (0.47) ALOX15SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL68392 0.75 SMN1; SMN2 (0.49) ALOX15HTTTSHRSMN1; SMN2CYP1A2
SCHEMBL1106982 0.74 TSHR (0.46) ALOX15HTTTSHRSMN1; SMN2HPGD
SCHEMBL20645069 0.74 ALOX15 (0.36) ALOX15HTTTSHRSMN1; SMN2HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
WO-2010100127-A1 DISUBSTITUTED IMIDAZOLE DERIVATIVES AS MODULATORS OF RAF KINASE NOVARTIS AG (CH) 2010-09-10 WO disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS ALOX15 4328/4885HTT 2408/4885TSHR 3286/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ALOX15 3969/4885HTT 3739/4885TSHR 3980/4885

“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.