SCHEMBL23183403

SCHEMBL23183403

Cc1c(C(F)(F)F)c(C#N)c(SC2CNCCO2)[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL23183460 0.78 KDM4E (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23183406 0.71 — —
SCHEMBL20350899 0.71 ALDH1A1 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20340026 0.70 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20340117 0.67 KDM4E (0.57) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20340085 0.65 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20340086 0.64 HSD11B1 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20350844 0.63 KDM4E (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20350871 0.61 KDM4E (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL22890710 0.60 UPP1 (0.48) KDM4EALDH1A1GLAGAAHPGD

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-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 — — US disclosed
US-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ORSOBIO, INC. 2021-04-01 — — 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-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ALDH7A1, OTC, DDC KDM4E 1198/4885ALDH1A1 417/4885GLA 1920/4885
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 KDM4E 1040/4885ALDH1A1 370/4885GLA 1977/4885

“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.

Send feedback