SCHEMBL16101118

SCHEMBL16101118

NCCNC1CCN(CC(=O)NC2Cc3cccc(C(=O)O)c3OB2O)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 1/20 0.34
▸ DRD4 P21917 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL16119469 1.00 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL16119447 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL16119471 0.90 SMYD3 (0.39) ALDH1A1L3MBTL1POLB
SCHEMBL16100276 0.90 SMYD3 (0.39) ALDH1A1L3MBTL1POLB
SCHEMBL16119461 0.90 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL16119462 0.89 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL16119429 0.89 ALDH1A1 (0.33) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL16119467 0.88 SMYD3 (0.32) ALDH1A1L3MBTL1
SCHEMBL16119492 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBDRD4
SCHEMBL16101140 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970340-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2020-02-12 — — EP disclosed
US-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 — — US disclosed
US-20180273552-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2018-09-27 — — US disclosed
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 — — US disclosed
US-20160024121-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2016-01-28 — — US disclosed
EP-2970340-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151958-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-09-25 — — 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 (3 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-20180273552-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885L3MBTL1 89/4885MEN1 4336/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT ALDH1A1 305/4885L3MBTL1 89/4885MEN1 4336/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885L3MBTL1 89/4885MEN1 4336/4885

“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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