SCHEMBL22529366

SCHEMBL22529366

O=[N+]([O-])S(=O)(=O)NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP19A1 P11511 4/20 0.43
KMT2A Q03164 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
AR P10275 2/20 0.40
HTT P42858 2/20 0.40
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6535542 0.76 CYP19A1 (0.58) NPC1RAB9ACYP19A1KMT2ACA1
SCHEMBL28926322 0.76 CA2 (0.59) NPC1RAB9AKMT2ACA1CA2
SCHEMBL30586133 0.75 AR (0.62) NPC1RAB9ACYP19A1KMT2ACA1
SCHEMBL4421032 0.75 AR (0.62) NPC1RAB9ACYP19A1KMT2ACA1
Methane SCHEMBL7670761 0.74 CA2 (0.57) NPC1RAB9AKMT2ACA1CA2
SCHEMBL2028618 0.74 NPC1 (0.50) NPC1RAB9AKMT2ACA1CA2
SCHEMBL7670765 0.74 NPC1 (0.51) NPC1RAB9ACYP19A1KMT2ACA1
SCHEMBL217534 0.73 CA2 (0.55) NPC1RAB9ACYP19A1KMT2ACA1
SCHEMBL10837819 0.73 KMT2A (0.64) NPC1RAB9AKMT2ACA1CA2
SCHEMBL4349161 0.72 AR (0.64) CYP19A1KMT2ACA1CA2MEN1

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
US-20210300926-A1 NEW BETA-LACTAMASE INHIBITORS TARGETING GRAM NEGATIVE BACTERIA UNIVERSITÉ PARIS CITÉ (FR) 2021-09-30 US disclosed
EP-3728258-A1 NEW ANTIBIOTICS TARGETING MYCOBACTERIA Centre National de la Recherche Scientifique (FR) 2020-10-28 EP disclosed
EP-3728259-A1 NEW BETA-LACTAMASE INHIBITORS TARGETING GRAM NEGATIVE BACTERIA Centre National de la Recherche Scientifique (FR) 2020-10-28 EP disclosed
US-20200325139-A1 NEW ANTIBIOTICS TARGETING MYCOBACTERIA UNIVERSITÉ PARIS CITÉ (FR) 2020-10-15 US 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 (2 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-20200325139-A1 NEW ANTIBIOTICS TARGETING MYCOBACTERIA MAGT1, RPN2, MAFG NPC1 243/4885RAB9A 1111/4885CYP19A1 4798/4885
US-20210300926-A1 NEW BETA-LACTAMASE INHIBITORS TARGETING GRAM NEGATIVE BACTERIA LCT, MGAM, PGLS NPC1 2010/4885RAB9A 725/4885CYP19A1 3269/4885

“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.