SCHEMBL68732

SCHEMBL68732

[NH]C1CCN(S(=O)(=O)C2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
NAMPT P43490 1/20 0.31
USP30 Q70CQ3 1/20 0.31
TSHR P16473 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
SCHEMBL18914047 0.76 EPHX2 (0.46) EPHX2TSHR
SCHEMBL4355006 0.76 CA1 (0.46) EPHX2TSHR
SCHEMBL68733 0.75 EPHX2 (0.42) EPHX2TSHR
SCHEMBL8263008 0.75 MEN1 (0.47) EPHX2TSHR
SCHEMBL1562706 0.75 TP53 (0.48) EPHX2TSHR
SCHEMBL4439325 0.74 CA1 (0.50) EPHX2TSHR
SCHEMBL3503020 0.74 CA1 (0.50) EPHX2TSHR
SCHEMBL4756852 0.73 EPHX2 (0.41) EPHX2USP30
SCHEMBL1562656 0.73 KDM4E (0.44) TSHR
SCHEMBL67414 0.73 MAPK1 (0.35) EPHX2TSHR

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 6 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
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 EPHX2 1624/4885NAMPT 653/4885USP30 2428/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS EPHX2 1198/4885NAMPT 1050/4885USP30 2623/4885

“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.