SCHEMBL1980306

SCHEMBL1980306

C[C@@H]1CN(C(=O)OC(C)(C)C)S(=O)(=O)O[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
RECQL P46063 1/20 0.34
EPHX1 P07099 1/20 0.34
HSD11B1 P28845 2/20 0.33
HPGD P15428 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL1979775 1.00 USP2 (0.38) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL1982417 1.00 USP2 (0.38) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL1982415 1.00 USP2 (0.38) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL12598645 1.00 USP2 (0.38) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL1980305 1.00 USP2 (0.38) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL2980172 0.85 USP2 (0.39) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL2904445 0.85 USP2 (0.39) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL1978663 0.85 USP2 (0.39) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL4039058 0.78 NR1H2 (0.38) USP2SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL4039056 0.78 NR1H2 (0.38) USP2SMN1; SMN2NR1H2CHRM2CHRM1

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 8 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-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
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

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 1941/4885NR1H2 746/4885

“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.