SCHEMBL16101140

SCHEMBL16101140

CNC1CCN(CC(=O)NC2Cc3cccc(C(=O)O)c3OB2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35

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
SCHEMBL16119492 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBCYP3A4CYP2C9
SCHEMBL16119447 0.91 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBCYP3A4CYP2C9
SCHEMBL17465696 0.89 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ADRD4DRD2
SCHEMBL16100710 0.89 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ADRD4DRD2
SCHEMBL16119482 0.89 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16101987 0.89 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16100276 0.88 SMYD3 (0.39) ALDH1A1SMN1; SMN2POLBCYP3A4CYP2C9
SCHEMBL16119471 0.88 SMYD3 (0.39) ALDH1A1SMN1; SMN2POLBCYP3A4CYP2C9
SCHEMBL16119461 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBCYP3A4CYP2C9
SCHEMBL16101118 0.87 ALDH1A1 (0.37) ALDH1A1POLBMEN1KMT2ADRD4

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 305/4885SMN1; SMN2 2444/4885POLB 404/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT ALDH1A1 305/4885SMN1; SMN2 2444/4885POLB 404/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885SMN1; SMN2 2444/4885POLB 404/4885

“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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