SCHEMBL346029

SCHEMBL346029

CCC1(CC(C)(C)N(C(=O)OC)c2cc(C(=O)NC)no2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
SCD5 Q86SK9 2/20 0.36
SCD O00767 1/20 0.36
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
NAMPT P43490 5/20 0.34
GPR119 Q8TDV5 2/20 0.33
CNR2 P34972 1/20 0.33
USP30 Q70CQ3 1/20 0.33
STS P08842 1/20 0.33

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
SCHEMBL345095 0.84 PKM (0.38) PKMSCD5SCDJAK2JAK1
SCHEMBL346246 0.77 PKM (0.39) PKMSCD5SCDJAK2JAK1
SCHEMBL346030 0.76 PKM (0.40) PKMSCD5SCDJAK2JAK1
SCHEMBL9994672 0.73 SCD5 (0.43) PKMSCD5NAMPTGPR119USP30
SCHEMBL345096 0.72 PKM (0.39) PKMSCD5SCDJAK2JAK1
SCHEMBL345745 0.71 SCD5 (0.35) PKMSCD5SCDJAK2JAK1
SCHEMBL345714 0.71 USP30 (0.41) PKMGPR119USP30STS
SCHEMBL25630169 0.67 USP2 (0.51) GPR119
SCHEMBL9993013 0.66 NAMPT (0.46) PKMSCD5JAK2JAK1NAMPT
SCHEMBL9994514 0.64 NAMPT (0.44) PKMSCD5NAMPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A PKM 2791/4885SCD5 4185/4885SCD 4792/4885

“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.