SCHEMBL18957019

SCHEMBL18957019

CCC(=O)N[C@H]1Cc2cccc(C(=O)OCc3ccccc3)c2OB1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ MTNR1A P48039 3/20 0.37
▸ MTNR1B P49286 3/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CASP3 P42574 1/20 0.36

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
SCHEMBL18957020 1.00 RAB9A (0.43) RAB9AGAAKMT2AALDH1A1HPGD
SCHEMBL17337367 0.89 TSHR (0.40) ALDH1A1HPGDNPSR1L3MBTL1TDP1
SCHEMBL17337369 0.89 TSHR (0.40) ALDH1A1HPGDNPSR1L3MBTL1TDP1
SCHEMBL18957353 0.88 ALDH1A1 (0.37) RAB9AGAAKMT2AALDH1A1HPGD
SCHEMBL18957351 0.88 ALDH1A1 (0.37) RAB9AGAAKMT2AALDH1A1HPGD
SCHEMBL22514010 0.88 MTNR1A (0.36) KMT2AALDH1A1TSHRCYP3A4MAPK1
SCHEMBL18966902 0.88 ALDH1A1 (0.38) RAB9AGAAKMT2AALDH1A1L3MBTL1
SCHEMBL17337345 0.87 KMT2A (0.36) RAB9AGAAKMT2AALDH1A1HPGD
SCHEMBL17337346 0.87 KMT2A (0.36) RAB9AGAAKMT2AALDH1A1HPGD
SCHEMBL18966634 0.87 ALDH1A1 (0.36) RAB9AGAAKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
US-20180291039-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-11 — — US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — WO disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — 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 (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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT RAB9A 1933/4885GAA 2/4885KMT2A 915/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT RAB9A 1933/4885GAA 2/4885KMT2A 915/4885

“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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