SCHEMBL14342134

SCHEMBL14342134

CC(=O)OCC1OC(N)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.59
▸ CA12 O43570 12/20 0.59
▸ CA1 P00915 12/20 0.59
▸ CA9 Q16790 6/20 0.59
▸ CYP2D6 P10635 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TSHR P16473 1/20 0.57
▸ NR3C1 P04150 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ DRD4 P21917 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ CA4 P22748 6/20 0.52
▸ CA5A P35218 6/20 0.52
▸ CA7 P43166 6/20 0.52
▸ CA5B Q9Y2D0 6/20 0.52
▸ PKM P14618 1/20 0.51

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
SCHEMBL18649161 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL10936126 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL17030496 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL1682155 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL13707324 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL19976655 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL18102344 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL13163793 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL5497115 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6
SCHEMBL7151293 1.00 CA2 (0.59) CA2CA12CA1CA9CYP2D6

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-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-25 — — US disclosed
US-10273260-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2019-04-30 — — US disclosed
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS WASHINGTON UNIVERSITY 2017-08-31 — — US disclosed
US-9567362-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2017-02-14 — — US disclosed
US-7312194-B2 Delivery systems ALCHEMIA PTY. LTD. (AU) 2007-12-25 — — 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 (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-10273260-B2 Compounds and methods for treating bacterial infections MMP8, ELANE, GUSB CA2 409/4885CA12 335/4885CA1 1322/4885
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CA2 4141/4885CA12 4125/4885CA1 4496/4885
US-20170247401-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, GUSB CA2 409/4885CA12 335/4885CA1 1322/4885

“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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