SCHEMBL17545342

SCHEMBL17545342

CCCCCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.54
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.51
ACLY P53396 1/20 0.51
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.46
TSHR P16473 2/20 0.45
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
TP53 P04637 1/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL19219763 0.91 ACLY (0.50) CYP2C19LMNAGAAACLYALDH1A1
SCHEMBL17545213 0.90 ACLY (0.52) CYP2C19LMNAGAAACLYALDH1A1
SCHEMBL21275832 0.87 LMNA (0.51) CYP2C19LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL17545144 0.84 ACLY (0.52) CYP2C19LMNAGAAACLYALDH1A1
SCHEMBL17545103 0.81 ACLY (0.53) CYP2C19LMNAACLYALDH1A1SMN1; SMN2
SCHEMBL17545313 0.81 ACLY (0.52) CYP2C19LMNAGAAACLYALDH1A1
SCHEMBL15882300 0.81 ACLY (0.61) LMNAACLYALDH1A1XIAPBIRC2
SCHEMBL10598052 0.81 XIAP (0.60) LMNAACLYALDH1A1XIAPBIRC2
SCHEMBL17545146 0.78 ACLY (0.57) LMNAACLYXIAPBIRC2
SCHEMBL19219761 0.77 XIAP (0.45) CYP2C19LMNAGAAACLYALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 CYP2C19 2615/4885LMNA 3262/4885GAA 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.