SCHEMBL23328899

SCHEMBL23328899

OCc1[nH]nnc1-c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.45
▸ ESR2 Q92731 3/20 0.45
▸ CA12 O43570 1/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ GSTP1 P09211 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36

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
SCHEMBL23329217 0.85 GP6 (0.41) ESR1ALOX5ALDH1A1HPGDNPSR1
SCHEMBL23328939 0.78 HDAC8 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL23329266 0.78 NPC1 (0.45) CA12ADORA2AADORA1NOTUM
SCHEMBL29851986 0.75 CA12 (0.52) ESR1ESR2CA12MAPK8MAPK9
SCHEMBL23294478 0.75 CA12 (0.52) ESR1ESR2CA12MAPK8MAPK9
SCHEMBL23329267 0.73 KDM4E (0.41) CYP19A1CDK2ALDH1A1CYP1A2CYP2C9
SCHEMBL23329080 0.73 MKNK1 (0.55) CA12CYP19A1CYP11B1CYP11B2CA1
SCHEMBL1250883 0.70 ADORA2A (0.48) CA12MAPK8MAPK9MAPK10ADORA2A
SCHEMBL23294462 0.69 CA12 (0.55) ESR1ESR2CA12MAPK8MAPK9
SCHEMBL29852112 0.69 CA12 (0.55) ESR1ESR2CA12MAPK8MAPK9

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-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 — — US disclosed
US-20210128532-A1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS Lilac Therapeutics, Inc. 2021-05-06 — — 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-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO ESR1 4529/4885ESR2 4596/4885CA12 812/4885
US-20210128532-A1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS UGDH, PGD, PNPO ESR1 4529/4885ESR2 4596/4885CA12 812/4885

“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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