SCHEMBL23391600

SCHEMBL23391600

CC1(C)OB(c2cc(Cl)c(Oc3ccc(N)c(Cl)c3)c(Cl)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ LPL P06858 7/20 0.35
▸ LIPG Q9Y5X9 7/20 0.35
▸ CYP3A4 P08684 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ SNCA P37840 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ F11 P03951 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
SCHEMBL57994 0.80 LPL (0.46) CA1CA2CA9LPLLIPG
SCHEMBL1129409 0.75 LIPG (0.43) CA1CA2CA9LPLLIPG
SCHEMBL23407749 0.75 CYP3A4 (0.33) CYP3A4TSHRNR4A1ALDH1A1MAPK1
SCHEMBL3239432 0.74 LPL (0.38) CA1CA2CA9LPLLIPG
SCHEMBL12632055 0.73 LPL (0.40) CA1CA2CA9LPLLIPG
SCHEMBL23391539 0.72 CYP3A4 (0.41) CA1CA2CA9CYP3A4TSHR
SCHEMBL273483 0.71 NR4A1 (0.61) CA1CA2CA9CYP3A4TSHR
SCHEMBL23391578 0.70 TTR (0.40) TSHRMAPK1AAK1
SCHEMBL14962342 0.70 LPL (0.40) CA1CA2CA9LPLLIPG
SCHEMBL16194387 0.70 AAK1 (0.36) CA1CA2CA9LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4063373-A1 NOVEL METALLO-BETA-LACTAMASE INHIBITOR CREATED IN MULTI-DRUG RESISTANT BACTERIA, AND PREPARATION METHOD THEREFOR Myongji University Industry and Academia Cooperation Foundation (KR) 2022-09-28 — — EP disclosed
US-11395829-B2 Inhibitors of metallo-beta-lactamases produced by multidrug-resistant bacteria MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2022-07-26 — — US disclosed
US-20210154216-A1 INHIBITORS OF METALLO-BETA-LACTAMASES PRODUCED BY MULTIDRUG-RESISTANT BACTERIA MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2021-05-27 — — 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 (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-20210154216-A1 INHIBITORS OF METALLO-BETA-LACTAMASES PRODUCED BY MULTIDRUG-RESISTANT BACTERIA MANBA, MGAM, GUSB CA1 2178/4885CA2 1491/4885CA9 1266/4885
US-11395829-B2 Inhibitors of metallo-beta-lactamases produced by multidrug-resistant bacteria MANBA, MGAM, GUSB CA1 2178/4885CA2 1491/4885CA9 1266/4885

“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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