SCHEMBL26211588

SCHEMBL26211588

CC(C)CCOCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 15/20 0.64
▸ CA2 P00918 15/20 0.64
▸ CA9 Q16790 15/20 0.64
▸ CA12 O43570 7/20 0.64
▸ CA14 Q9ULX7 3/20 0.64
▸ CA7 P43166 2/20 0.62
▸ ELF3 P78545 2/20 0.58
▸ MED23 Q9ULK4 2/20 0.58
▸ PTGER3 P43115 1/20 0.55
▸ HTR3A P46098 1/20 0.55

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
SCHEMBL12185010 0.91 CA9 (0.70) CA1CA2CA9CA12CA14
SCHEMBL21186772 0.87 CA9 (0.65) CA1CA2CA9CA12CA14
SCHEMBL14164948 0.86 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL21391543 0.85 CA9 (0.69) CA1CA2CA9CA12CA14
SCHEMBL15828111 0.85 CA9 (0.83) CA1CA2CA9CA12CA14
SCHEMBL12185092 0.85 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL22855043 0.85 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL21282083 0.85 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL17245251 0.85 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL13971295 0.85 CA1 (0.64) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — 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 (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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CA1 3676/4885CA2 2790/4885CA9 1819/4885

“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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