SCHEMBL17347706

SCHEMBL17347706

CCCCOC(=O)OCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CC)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TRPA1 O75762 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ RECQL P46063 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
SCHEMBL23129965 1.00 TSHR (0.37) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL23130159 0.94 TSHR (0.37) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL17347747 0.94 TSHR (0.37) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL23130188 0.93 MTNR1A (0.31) CYP1A2MTNR1AMTNR1BMAPTCYP2C9
SCHEMBL17347715 0.93 TSHR (0.39) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL23129651 0.93 TSHR (0.39) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL17337547 0.93 TSHR (0.44) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL17337544 0.93 TSHR (0.44) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL17337472 0.91 TSHR (0.35) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL17337476 0.91 TSHR (0.35) TSHRTDP1L3MBTL1TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
US-11008346-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-05-18 — — US disclosed
EP-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
US-20200361962-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 — — US disclosed
US-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 — — US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 — — US disclosed
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 — — US disclosed
US-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 — — US disclosed
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — US disclosed
US-20160264598-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 — — US disclosed
WO-2015191907-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2015-12-17 — — 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 (5 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-11008346-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TSHR 4759/4885TDP1 1647/4885L3MBTL1 89/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885TDP1 1647/4885L3MBTL1 89/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885TDP1 1647/4885L3MBTL1 89/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885TDP1 1647/4885L3MBTL1 89/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885TDP1 1647/4885L3MBTL1 89/4885

“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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