SCHEMBL17492500

SCHEMBL17492500

CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Cl)c21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.68
POLB P06746 2/20 0.64
ALDH1A1 P00352 2/20 0.61
CASP6 P55212 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
GAA P10253 1/20 0.61
TP53 P04637 3/20 0.58
LMNA P02545 2/20 0.58
NPC1 O15118 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
CYP2C19 P33261 2/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL17492600 0.84 NOTUM (0.52) NPSR1POLBALDH1A1CASP6MEN1
SCHEMBL21549613 0.83 CYP2C19 (0.70) NPSR1POLBALDH1A1MEN1KMT2A
SCHEMBL7218644 0.81 NPSR1 (0.61) NPSR1POLBALDH1A1CASP6MEN1
SCHEMBL21469259 0.80 TSHR (0.68) NPSR1POLBALDH1A1CASP6MEN1
SCHEMBL7165608 0.79 NPSR1 (0.59) NPSR1POLBALDH1A1CASP6MEN1
SCHEMBL17545311 0.78 CYP2C19 (0.77) NPSR1POLBALDH1A1TP53LMNA
SCHEMBL17545248 0.78 TP53 (0.67) NPSR1POLBALDH1A1KMT2ATP53
SCHEMBL9471223 0.78 NPSR1 (0.58) NPSR1POLBALDH1A1CASP6MEN1
SCHEMBL31457876 0.78 NPSR1 (0.58) NPSR1POLBALDH1A1CASP6MEN1
SCHEMBL10540017 0.78 NPSR1 (0.58) NPSR1POLBALDH1A1CASP6MEN1

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 7 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
EP-3180312-B1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME UNIV LOYOLA CHICAGO (US) 2019-10-16 EP 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
EP-3180312-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME LOYOLA UNIVERSITY OF CHICAGO (US) 2017-06-21 EP 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 NPSR1 1218/4885POLB 1517/4885ALDH1A1 1200/4885
US-20190337931-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT NPSR1 1218/4885POLB 1517/4885ALDH1A1 1200/4885
US-11021469-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same INMT, MGAM, NNMT NPSR1 1218/4885POLB 1517/4885ALDH1A1 1200/4885
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT NPSR1 1218/4885POLB 1517/4885ALDH1A1 1200/4885

“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.