SCHEMBL20712040

SCHEMBL20712040

CC1(C)OC[C@H]2OC(N)[C@H](O)[C@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.38
▸ CA1 P00915 5/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ YWHAZ P63104 1/20 0.30

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
SCHEMBL10482457 0.83 CA2 (0.36) CA2CA1CA9MGAMGAA
SCHEMBL13985216 0.83 CA2 (0.36) CA2CA1CA9MGAMGAA
SCHEMBL27594926 0.81 CA2 (0.36) CA2CA1CA9MGAMGAA
SCHEMBL9812954 0.81 CA2 (0.36) CA2CA1CA9MGAMGAA
SCHEMBL28066823 0.80 CA2 (0.35) CA2CA1CA9MGAMGAA
SCHEMBL10419819 0.80 CA2 (0.35) CA2CA1CA9MGAMGAA
SCHEMBL7151445 0.80 CA2 (0.35) CA2CA1CA9MGAMGAA
SCHEMBL25509870 0.80 CA2 (0.35) CA2CA1CA9MGAMGAA
SCHEMBL1151202 0.80 CA2 (0.35) CA2CA1CA9MGAMGAA
SCHEMBL25510322 0.80 CA2 (0.35) CA2CA1CA9MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040958-B2 Triazole antimicrobial derivative, pharmaceutical composition and use thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2021-06-22 — — US disclosed
US-20190038621-A1 POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2019-02-07 — — 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-20190038621-A1 POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP3A43, ERG28, SORD CA2 1383/4885CA1 3622/4885CA9 978/4885
US-11040958-B2 Triazole antimicrobial derivative, pharmaceutical composition and use thereof SLCO1B3, CYP3A43, GSK3B CA2 2199/4885CA1 4241/4885CA9 2202/4885

“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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