SCHEMBL17545409

SCHEMBL17545409

CC(C)(C)OC(=O)N1CCc2cccc(S(=O)(=O)Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
GPR119 Q8TDV5 8/20 0.40
STS P08842 3/20 0.39
ESR2 Q92731 1/20 0.39
UCHL1 P09936 1/20 0.39
MAPK1 P28482 1/20 0.38
NR1H2 P55055 1/20 0.38
GAA P10253 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL17545408 0.88 NOTUM (0.45) NOTUMGPR119STSESR2UCHL1
SCHEMBL18391882 0.87 NOTUM (0.44) NOTUMGPR119STSESR2UCHL1
SCHEMBL19219780 0.84 NOTUM (0.66) NOTUMMAPK1GAA
SCHEMBL2109995 0.82 NOTUM (0.46) NOTUMGPR119ESR2UCHL1MAPK1
SCHEMBL3902271 0.81 CNR2 (0.52) NOTUMGPR119ESR2UCHL1MAPK1
SCHEMBL18391880 0.81 NOTUM (0.39) NOTUMGPR119STSESR2UCHL1
SCHEMBL23293654 0.80 NR1H2 (0.46) NOTUMGPR119ESR2UCHL1MAPK1
SCHEMBL16123405 0.80 UCHL1 (0.51) NOTUMGPR119ESR2UCHL1MAPK1
SCHEMBL31389170 0.80 NR1H2 (0.46) NOTUMGPR119ESR2UCHL1MAPK1
SCHEMBL31443362 0.80 UCHL1 (0.48) NOTUMGPR119STSUCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626087-B2 Indoline and tetrahydroquinoline sulfonyl inhibitors of dimetalloenzymes and use of the same LOYOLA UNIVERSITY OF CHICAGO (US) 2020-04-21 US disclosed
US-20190084932-A1 INDOLINE AND TETRAHYDROQUINOLINE SULFONYL INHIBITORS OF DIMETALLOENZYMES AND USE OF THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-21 US disclosed
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-08-10 US disclosed
WO-2017011408-A1 INDOLINE AND TETRAHYDROQUINOLINE SULFONYL INHIBITORS OF DIMETALLOENZYMES AND USE OF THE SAME LOYOLA UNIVERSITY OF CHICAGO (US) 2017-01-19 WO disclosed
WO-2016025637-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME LOYOLA UNIVERSITY OF CHICAGO (US) 2016-02-18 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 (3 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-20190084932-A1 INDOLINE AND TETRAHYDROQUINOLINE SULFONYL INHIBITORS OF DIMETALLOENZYMES AND USE OF THE SAME MGAM, NNMT, INMT NOTUM 277/4885GPR119 2698/4885STS 101/4885
US-10626087-B2 Indoline and tetrahydroquinoline sulfonyl inhibitors of dimetalloenzymes and use of the same MGAM, INMT, NNMT NOTUM 201/4885GPR119 3208/4885STS 105/4885
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT NOTUM 581/4885GPR119 4545/4885STS 82/4885

“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.