SCHEMBL24087901

SCHEMBL24087901

O=c1[nH]c(SCc2nnn[nH]2)nc(C(F)(F)F)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.43
▸ CXCR2 P25025 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ TOP2A P11388 1/20 0.31
▸ FABP3 P05413 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL24087886 0.87 DAO (0.43) DAOCXCR2MAOBHPGDCASP7
SCHEMBL23853738 0.74 FABP4 (0.54) HPGDTSHRCASP7FABP3FABP4
SCHEMBL24087900 0.71 DAO (0.47) DAOMAOBHPGDTSHRKDM4E
SCHEMBL20339427 0.65 SCN9A (0.36) DAOTOP2AKDM4EMEN1KMT2A
SCHEMBL20339549 0.63 HSD11B1 (0.34) KDM4E
SCHEMBL24087923 0.62 ACMSD (0.53) CXCR2HPGDTSHRKDM4EMEN1
SCHEMBL20340086 0.62 HSD11B1 (0.33) CXCR2HPGDTSHRKDM4EALDH1A1
SCHEMBL23852241 0.61 MEN1 (0.69) CXCR2HPGDKDM4EMEN1ALDH1A1
SCHEMBL20339450 0.60 KDM4E (0.58) HPGDTSHRKDM4EMEN1ALDH1A1
SCHEMBL14486370 0.60 DAO (0.68) DAOMAOBHPGDFABP3FABP4

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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 — — US disclosed
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-12-09 — — 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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 DAO 66/4885CXCR2 4864/4885MAOB 259/4885
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 DAO 66/4885CXCR2 4864/4885MAOB 259/4885

“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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