SCHEMBL1978460

SCHEMBL1978460

CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HCRTR2 O43614 1/20 0.39
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
NR1H2 P55055 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1979180 0.89 MEN1 (0.39) ALDH1A1TSHRMEN1KMT2AHCRTR2
SCHEMBL23214666 0.89 USP2 (0.42) USP2SMN1; SMN2EPHX2TSHREPHX1
SCHEMBL19226693 0.86 USP2 (0.44) USP2SMN1; SMN2EPHX2TSHREPHX1
SCHEMBL23214690 0.85 USP2 (0.39) USP2SMN1; SMN2EPHX2EPHX1PTPN2
SCHEMBL510027 0.85 TDP1 (0.46) ALDH1A1TSHRMEN1KMT2AHCRTR2
SCHEMBL1880398 0.85 USP2 (0.51) USP2SMN1; SMN2EPHX2TSHREPHX1
SCHEMBL24805377 0.83 USP2 (0.42) USP2SMN1; SMN2EPHX2TSHREPHX1
SCHEMBL7611276 0.82 TDP1 (0.44) ALDH1A1TSHRMEN1KMT2AHCRTR2
SCHEMBL12598988 0.82 TDP1 (0.44) ALDH1A1TSHRMEN1KMT2AHCRTR2
SCHEMBL12598229 0.81 MEN1 (0.39) USP2SMN1; SMN2ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 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 (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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 USP2 1093/4885SMN1; SMN2 1941/4885EPHX2 4373/4885

“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.