Sugi Predict

Sugi Predict / Compounds / SCHEMBL19990723

SCHEMBL19990723

SCHEMBL19990723

CS(=O)(=O)OCCN1C[C@@H]2C[C@@H]3CN(C(=O)N3OCc3ccccc3)[C@@H]2C1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.32
▸ PKM P14618 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL20009186 0.86 FKBP1A (0.38) KCNA5ALDH1A1MEN1KMT2AKDM4C
SCHEMBL19990609 0.85 KCNA5 (0.35) KCNA5ALDH1A1MEN1KMT2AKDM4C
SCHEMBL22368509 0.85 KCNA5 (0.35) KCNA5ALDH1A1MEN1KMT2AKDM4C
SCHEMBL19990616 0.83 KCNA5 (0.32) KCNA5
SCHEMBL19990799 0.82 KCNA5 (0.32) KCNA5
SCHEMBL20009179 0.82 KCNA5 (0.37) KCNA5ALDH1A1MEN1KMT2AKDM4C
SCHEMBL22368502 0.82 KCNA5 (0.37) KCNA5ALDH1A1MEN1KMT2AKDM4C
SCHEMBL22368497 0.79 ALOX15 (0.35) KCNA5
SCHEMBL19990666 0.79 ALOX15 (0.35) KCNA5
SCHEMBL22368496 0.78 KCNA5 (0.37) KCNA5ALDH1A1MEN1KMT2AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3698796-B1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS NOVARTIS AG (CH) 2021-10-27 — — EP disclosed
EP-3698796-A1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS Novartis AG (CH) 2020-08-26 — — EP disclosed
EP-3698796-A1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS Novartis AG (CH) 2020-08-26 — — EP disclosed
EP-3519419-B1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2020-05-27 — — EP disclosed
US-10597396-B2 Beta-lactamase inhibitors NOVARTIS AG (CH) 2020-03-24 — — US disclosed
EP-3519419-A1 BETA-LACTAMASE INHIBITORS Novartis AG (CH) 2019-08-07 — — EP disclosed
US-20190177324-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2019-06-13 — — US disclosed
US-10065957-B2 Beta-lactamase inhibitors NOVARTIS AG (CH) 2018-09-04 — — US disclosed
WO-2018060926-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-04-05 — — WO disclosed
US-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-03-29 — — 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 (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-20190177324-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KCNA5 2796/4885PKM 3079/4885ALDH1A1 683/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KCNA5 2796/4885PKM 3079/4885ALDH1A1 683/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KCNA5 2796/4885PKM 3079/4885ALDH1A1 683/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KCNA5 2796/4885PKM 3079/4885ALDH1A1 683/4885

“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.