SCHEMBL346528

SCHEMBL346528

CC(C)CC1(CC(=O)OC(C)C#N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
JAK2 O60674 7/20 0.34
JAK1 P23458 7/20 0.34
TACR1 P25103 1/20 0.32

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
SCHEMBL346285 0.90 TSHR (0.37) TSHRALOX15USP2SMN1; SMN2CTSK
SCHEMBL345672 0.84 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL346527 0.82 MEN1 (0.35) TSHRALOX15USP2SMN1; SMN2CTSK
SCHEMBL345712 0.81 JAK2 (0.42) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL21851983 0.78 USP2 (0.44) TSHRALOX15USP2SMN1; SMN2ALDH1A1
SCHEMBL1821374 0.75 USP2 (0.42) TSHRALOX15USP2SMN1; SMN2CTSK
SCHEMBL345212 0.74 USP2 (0.41) TSHRALOX15USP2SMN1; SMN2ALDH1A1
SCHEMBL4278207 0.72 USP2 (0.46) TSHRALOX15USP2SMN1; SMN2ALDH1A1
SCHEMBL89886 0.71 CTSK (0.40) TSHRALOX15USP2SMN1; SMN2CTSK
SCHEMBL31726620 0.71 USP2 (0.45) TSHRALOX15USP2SMN1; SMN2ALDH1A1

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 TSHR 47/4885ALOX15 4451/4885USP2 4583/4885

“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.