Sugi Predict

Sugi Predict / Compounds / SCHEMBL19990936

SCHEMBL19990936

SCHEMBL19990936

CC(C)(C)OC(=O)N(OCc1ccccc1)[C@@H]1C[C@H]2CCN(c3cccc4cccnc34)C(=O)[C@H]2N(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 1/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ USP2 O75604 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL20009195 0.96 MAPK1 (0.39) PKLRMAPK1MAPTHTTALDH1A1
SCHEMBL19990672 0.77 JAK2 (0.39) JAK2JAK1
SCHEMBL19990855 0.74 UBE2M (0.42) PKLRMAPTLMNAGAATSHR
SCHEMBL19990942 0.73 UBE2M (0.40) PKLRLMNAGAATSHRPOLB
SCHEMBL20009196 0.72 JAK2 (0.42) JAK2JAK1
SCHEMBL19990701 0.72 UBE2M (0.39) PKLRMAPTLMNAGAATSHR
SCHEMBL20009190 0.71 POLB (0.43) MAPK1LMNAGAATSHRPOLB
SCHEMBL19990700 0.70 UBE2M (0.39) PKLRMAPK1ALDH1A1LMNAGAA
SCHEMBL20009193 0.70 UBE2M (0.38) PKLRMAPK1LMNAGAATSHR
SCHEMBL20009191 0.69 UBE2M (0.37) PKLRMAPK1LMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843894-B Beta-lactamase inhibitors 诺华股份有限公司 2022-02-08 — — CN disclosed
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-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
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
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 PKLR 1029/4885MAPK1 3985/4885MAPT 1557/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA PKLR 1029/4885MAPK1 3985/4885MAPT 1557/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA PKLR 1029/4885MAPK1 3985/4885MAPT 1557/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA PKLR 1029/4885MAPK1 3985/4885MAPT 1557/4885

“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.