SCHEMBL22807129

SCHEMBL22807129

CS(=O)(=O)c1ccccc1N1CCN(c2ncnc(N3CCC(C(=O)O)CC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
KDM4E B2RXH2 4/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NOTUM Q6P988 3/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
SCN9A Q15858 1/20 0.40
PPARG P37231 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL29954881 0.87 NOTUM (0.52) DRD2KDM4ECYP2C19HSD17B10USP2
SCHEMBL24712493 0.79 MEN1 (0.54) DRD2KDM4ECYP2C19HSD17B10USP2
SCHEMBL22807134 0.79 RBP4 (0.53) KDM4ECYP2C19HPGDNOTUMSCN9A
SCHEMBL22807115 0.77 KDM4E (0.56) KDM4ECYP2C19HSD17B10USP2HPGD
SCHEMBL24712501 0.74 CYP2C19 (0.43) DRD2KDM4ECYP2C19HPGDTSHR
SCHEMBL2557896 0.74 NOTUM (0.52) KDM4ECYP2C19NOTUMNEK2APAF1
SCHEMBL24712509 0.74 KDM4E (0.59) KDM4ECYP2C19HSD17B10USP2HPGD
SCHEMBL24712497 0.73 KDM4E (0.42) DRD2KDM4ECYP2C19HSD17B10USP2
SCHEMBL29956491 0.72 NOTUM (0.55) DRD2KDM4EHSD17B10NOTUMMAPT
SCHEMBL24712508 0.71 KDM4E (0.59) KDM4ECYP2C19HSD17B10USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267303-A1 Compounds and Methods for Treating or Preventing Bacterial Infections BAYLOR COLLEGE OF MEDICINE 2022-08-25 US disclosed
WO-2020257734-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING, AMELIORATING, OR PREVENTING BACTERIAL INFECTIONS BAYLOR COLLEGE OF MEDICINE (US) 2020-12-24 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-20220267303-A1 Compounds and Methods for Treating or Preventing Bacterial Infections OXA1L, MMP8, OGG1 DRD2 3147/4885KDM4E 1801/4885CYP2C19 939/4885

“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.