SCHEMBL17545358

SCHEMBL17545358

O=C1NS(=O)(=O)c2cccc3c2N1CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 1.00
CA1 P00915 9/20 1.00
CA2 P00918 9/20 1.00
CA4 P22748 9/20 1.00
CA7 P43166 9/20 1.00
CA9 Q16790 9/20 1.00
CES1 P23141 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
KMT2A Q03164 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
RET P07949 1/20 0.36
GRK5 P34947 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 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
SCHEMBL17545387 0.75 CA12 (0.60) CA12CA1CA2CA4CA7
SCHEMBL19219779 0.75 CA12 (0.60) CA12CA1CA2CA4CA7
SCHEMBL6906518 0.73 CA12 (0.57) CA12CA1CA2CA4CA7
SCHEMBL17545423 0.72 CA2 (0.56) CA12CA1CA2CA4CA7
SCHEMBL12746937 0.70 CA12 (0.54) CA12CA1CA2CA4CA7
SCHEMBL19222318 0.68 CA12 (0.51) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL22234 0.66 MAP2K1 (0.55) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL8820252 0.66 MAP2K1 (0.55) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL29473240 0.66 MAP2K1 (0.55) CA12CA1CA2CA4CA7
Pyroquilon SCHEMBL19409911 0.65 MAP2K1 (0.54) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021469-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same LOYOLA UNIVERSITY OF CHICAGO (US) 2021-06-01 US disclosed
US-20190337931-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME LOYOLA UNIVERSITY OF CHICAGO 2019-11-07 US disclosed
US-10385040-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same LOYOLA UNIVERSITY OF CHICAGO (US) 2019-08-20 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
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-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 (4 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-10385040-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same INMT, MGAM, NNMT CA12 2141/4885CA1 2107/4885CA2 2156/4885
US-20190337931-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT CA12 2141/4885CA1 2107/4885CA2 2156/4885
US-11021469-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same INMT, MGAM, NNMT CA12 2141/4885CA1 2107/4885CA2 2156/4885
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT CA12 2141/4885CA1 2107/4885CA2 2156/4885

“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.