SCHEMBL19219782

SCHEMBL19219782

CC(=O)N1CCc2cccc(S(=O)(=O)O)c21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.63
MAPK1 P28482 1/20 0.51
GAA P10253 1/20 0.49
HSD17B3 P37058 1/20 0.47
TRIM24 O15164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL19219780 0.86 NOTUM (0.66) NOTUMMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL17545408 0.83 NOTUM (0.45) NOTUMMAPK1TRIM24
SCHEMBL7163398 0.79 NOTUM (0.69) NOTUMGAAHSD17B3ALDH1A1
SCHEMBL26777824 0.78 NOTUM (0.63) NOTUMGAAHSD17B3LMNA
SCHEMBL19329573 0.78 NOTUM (0.67) NOTUM
SCHEMBL2255409 0.78 NOTUM (0.67) NOTUMGAAHSD17B3NPC1
SCHEMBL21232729 0.75 NOTUM (0.63) NOTUMTRIM24ALDH1A1SMN1; SMN2LMNA
SCHEMBL12781789 0.75 NOTUM (0.63) NOTUMGAAHSD17B3
SCHEMBL9471540 0.74 NOTUM (0.62) NOTUMMAPK1
SCHEMBL396037 0.73 NOTUM (1.00) NOTUMHSD17B3ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT NOTUM 581/4885MAPK1 2688/4885GAA 682/4885

“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.