SCHEMBL346030

SCHEMBL346030

CCC1(CC(C)(C)NC(=O)OCc2cc(C(=O)NC)no2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SCD5 Q86SK9 2/20 0.36
SCD O00767 1/20 0.36
NAMPT P43490 3/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
GNRHR P30968 1/20 0.34
CNR2 P34972 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
SCHEMBL16161826 0.90 KMT2A (0.34) MEN1KMT2ARAB9ANPC1
SCHEMBL345096 0.87 PKM (0.39) PKMMEN1KMT2ASCD5SCD
SCHEMBL9994514 0.80 NAMPT (0.44) PKMMEN1KMT2ASCD5NAMPT
SCHEMBL346247 0.80 PKM (0.40) PKMMEN1KMT2ASCD5SCD
SCHEMBL2331831 0.77 MEN1 (0.47) MEN1KMT2ARAB9ANPC1
SCHEMBL9994673 0.76 NAMPT (0.47) PKMSCD5NAMPTGNRHR
SCHEMBL346029 0.76 PKM (0.38) PKMSCD5SCDNAMPTJAK2
SCHEMBL345501 0.75 KMT2A (0.34) MEN1KMT2ARAB9ANPC1
SCHEMBL345715 0.74 KDM4E (0.46) PKMMEN1KMT2ANAMPTRAB9A
SCHEMBL345746 0.73 SCD5 (0.34) PKMMEN1KMT2ASCD5SCD

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 2791/4885MEN1 812/4885KMT2A 2849/4885

“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.