SCHEMBL22601414

SCHEMBL22601414

CC1(C)OC2C(CO[PH](=O)O)OC(c3csc(C(N)=O)c3N)C2O1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ CA2 P00918 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL28718776 0.85 PI4KA (0.35) ALDH1A1
SCHEMBL22601413 0.85 PI4KA (0.35) ALDH1A1
SCHEMBL24500415 0.85 PI4KA (0.35) ALDH1A1
SCHEMBL24500360 0.84 ALDH1A1 (0.34) ALDH1A1CA2CA1CA9
SCHEMBL24500009 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24500006 0.68 CA2 (0.38) ALDH1A1CA2CA1CA9
SCHEMBL10183384 0.68 PI4KA (0.35) ALDH1A1
SCHEMBL10740595 0.62 PI4KA (0.36) —
SCHEMBL867517 0.60 PI4KA (0.50) ALDH1A1
SCHEMBL10183389 0.59 PI4KA (0.36) ALDH1A1

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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 — — US disclosed
WO-2020216327-A1 DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2020-10-29 — — 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 (1 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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 ALDH1A1 2715/4885CA2 3503/4885CA1 4300/4885

“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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