SCHEMBL17545248

SCHEMBL17545248

CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCC(C)C)c21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.67
CYP2C19 P33261 1/20 0.67
LMNA P02545 2/20 0.64
TSHR P16473 2/20 0.63
POLB P06746 2/20 0.58
NPC1 O15118 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL17545311 0.87 CYP2C19 (0.77) TP53CYP2C19LMNATSHRPOLB
SCHEMBL21549613 0.85 CYP2C19 (0.70) TP53CYP2C19LMNATSHRPOLB
SCHEMBL17545144 0.81 ACLY (0.52) TP53CYP2C19LMNATSHRPOLB
SCHEMBL17545145 0.79 MAPT (0.83) TP53CYP2C19LMNAPOLBNPC1
SCHEMBL17492500 0.78 NPSR1 (0.68) TP53CYP2C19LMNATSHRPOLB
SCHEMBL17545360 0.77 ALDH1A1 (0.48) TP53LMNATSHRPOLBRXFP1
SCHEMBL19219761 0.74 XIAP (0.45) TP53CYP2C19LMNATSHRALDH1A1
SCHEMBL21469259 0.73 TSHR (0.68) TP53CYP2C19LMNATSHRPOLB
SCHEMBL21469285 0.72 POLB (0.55) TP53CYP2C19LMNATSHRPOLB
SCHEMBL12601695 0.72 KMT2A (0.78) TP53CYP2C19TSHRPOLBALDH1A1

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
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 TP53 3211/4885CYP2C19 2615/4885LMNA 3262/4885
US-20190337931-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT TP53 3211/4885CYP2C19 2615/4885LMNA 3262/4885
US-11021469-B2 Indoline sulfonamide inhibitors of DapE and NDM-1 and use of the same INMT, MGAM, NNMT TP53 3211/4885CYP2C19 2615/4885LMNA 3262/4885
US-20170226090-A1 INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME INMT, MGAM, NNMT TP53 3211/4885CYP2C19 2615/4885LMNA 3262/4885

“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.