SCHEMBL1983350

SCHEMBL1983350

C[C@@H]1CCN(C(=O)OC(C)(C)C)S(=O)(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 1/20 0.35
PREP P48147 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 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
SCHEMBL1978328 1.00 USP2 (0.40) USP2SMN1; SMN2RECQLCHRM2CHRM1
SCHEMBL1979622 1.00 USP2 (0.40) USP2SMN1; SMN2RECQLCHRM2CHRM1
SCHEMBL2904445 0.83 USP2 (0.39) USP2SMN1; SMN2RECQLCHRM2CHRM1
SCHEMBL1978663 0.83 USP2 (0.39) USP2SMN1; SMN2RECQLCHRM2CHRM1
SCHEMBL2980172 0.83 USP2 (0.39) USP2SMN1; SMN2RECQLCHRM2CHRM1
SCHEMBL13268534 0.78
SCHEMBL1980306 0.75 USP2 (0.38) USP2SMN1; SMN2RECQLCHRM2CHRM1
SCHEMBL12598645 0.75 USP2 (0.38) USP2SMN1; SMN2RECQLCHRM2CHRM1
SCHEMBL1980305 0.75 USP2 (0.38) USP2SMN1; SMN2RECQLCHRM2CHRM1
SCHEMBL1982417 0.75 USP2 (0.38) USP2SMN1; SMN2RECQLCHRM2CHRM1

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 3 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US 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 1941/4885RECQL 1283/4885

“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.