SCHEMBL20673384

SCHEMBL20673384

CC(=O)Oc1c(CC(=O)OCC(C)(C)Cc2ccccc2O)cccc1CC(C)(C)CO

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ SIRT5 Q9NXA8 1/20 0.30

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
SCHEMBL29798814 0.77 AKR1B1 (0.42) AKR1B1
SCHEMBL20512155 0.77 AKR1B1 (0.42) AKR1B1
SCHEMBL20512217 0.72 HSPA5 (0.48) CYP3A4AKR1B1KDM4ETP53MAPT
SCHEMBL20512081 0.70 PTGS2 (0.46) BACE1KDM4EHSD17B10
SCHEMBL2612551 0.65 PTGS2 (0.41) KDM4EHSD17B10
SCHEMBL29852860 0.64 AKR1B1 (0.55) AKR1B1MTNR1AMTNR1B
SCHEMBL5370276 0.64 AKR1B1 (0.55) AKR1B1MTNR1AMTNR1B
SCHEMBL11926974 0.64 L3MBTL1 (0.45) KDM4EHSD17B10
SCHEMBL28302378 0.64 SMN1; SMN2 (0.42) KDM4EGAAHTTHSD17B10
SCHEMBL1009146 0.62 PKM (0.58) AKR1B1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2023-06-29 — — US disclosed
US-20210009580-A1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2021-01-14 — — US disclosed
US-20200297733-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2020-09-24 — — US disclosed
US-10722521-B2 Beta-lactamase inhibitors and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2020-07-28 — — US disclosed
US-20200046724-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2020-02-13 — — US disclosed
US-10500211-B2 Beta-lactamase inhibitors and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2019-12-10 — — US disclosed
US-10280161-B2 Aztreonam derivatives and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2019-05-07 — — US disclosed
US-20190100516-A1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2019-04-04 — — US disclosed
US-20190022102-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2019-01-24 — — 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 (9 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-10280161-B2 Aztreonam derivatives and uses thereof MGAM, ABCG2, SI BACE1 109/4885CYP3A4 144/4885AKR1B1 1122/4885
US-20190022102-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF MGAM, LCT, CMBL BACE1 24/4885CYP3A4 509/4885AKR1B1 2207/4885
US-20190100516-A1 AZTREONAM DERIVATIVES AND USES THEREOF MGAM, ABCG2, SI BACE1 109/4885CYP3A4 144/4885AKR1B1 1122/4885
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF GAA, LCT, MGAM BACE1 24/4885CYP3A4 385/4885AKR1B1 1770/4885
US-20210009580-A1 AZTREONAM DERIVATIVES AND USES THEREOF MGAM, ABCG2, SI BACE1 109/4885CYP3A4 144/4885AKR1B1 1122/4885
US-20200046724-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF GAA, MGAM, LCT BACE1 34/4885CYP3A4 430/4885AKR1B1 1772/4885
US-20200297733-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF GAA, LCT, MGAM BACE1 24/4885CYP3A4 385/4885AKR1B1 1770/4885
US-10722521-B2 Beta-lactamase inhibitors and uses thereof GAA, LCT, MGAM BACE1 24/4885CYP3A4 385/4885AKR1B1 1770/4885
US-10500211-B2 Beta-lactamase inhibitors and uses thereof GAA, LCT, MGAM BACE1 24/4885CYP3A4 385/4885AKR1B1 1770/4885

“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.

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