Sugi Predict

Sugi Predict / Compounds / SCHEMBL68755

SCHEMBL68755

SCHEMBL68755

CC(CN)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
▸ PDCD1LG2 Q9BQ51 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ 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

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
SCHEMBL20733126 0.85 PDCD1LG2 (0.32) TSHRCYP2C9PDCD1LG2CD274CTSK
SCHEMBL30356501 0.82 — —
SCHEMBL68680 0.82 — —
SCHEMBL8220160 0.82 — —
SCHEMBL23836777 0.82 CA12 (0.33) PDCD1LG2CD274CTSKCA12CA1
SCHEMBL14626185 0.80 MMP1 (0.47) ALOX15HTTTSHRSMN1; SMN2RAB9A
SCHEMBL12283123 0.80 ALOX15 (0.39) ALOX15HTTTSHRSMN1; SMN2HPGD
SCHEMBL23479938 0.80 MMP1 (0.47) ALOX15HTTTSHRSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL1494453 0.80 ACACB (0.36) SMN1; SMN2PDCD1LG2CD274KDM4ELMNA
Hydrochloric Acid SCHEMBL1494455 0.80 ACACB (0.36) SMN1; SMN2PDCD1LG2CD274KDM4ELMNA

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
US-9796754-B2 Compositions containing, methods involving, and uses of non-natural amino acid linked dolastatin derivatives AMBRX, INC. (US) 2017-10-24 — — US disclosed
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.