SCHEMBL23924236

SCHEMBL23924236

O=C(O)C1CN(C(=O)O)CC1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.46
TLR1 Q15399 2/20 0.46
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
SLC9A1 P19634 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
PDE4B Q07343 2/20 0.39
NOTUM Q6P988 1/20 0.39
KDM1A O60341 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
PAX8 Q06710 1/20 0.37
SLC6A3 Q01959 1/20 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
SCHEMBL23924235 1.00 TLR2 (0.46) TLR2TLR1ALDH1A1HRH3SLC9A1
SCHEMBL4347292 0.86 SIGMAR1 (0.46) TLR2TLR1ALDH1A1HRH3SLC9A1
SCHEMBL29900799 0.85 TLR2 (0.48) TLR2TLR1ALDH1A1HRH3SIGMAR1
SCHEMBL3181923 0.84 CYP1A2 (0.48) TLR2TLR1ALDH1A1SLC9A1
SCHEMBL2148749 0.82 TLR2 (0.41) TLR2TLR1ALDH1A1HRH3SLC9A1
SCHEMBL15054630 0.82 ALDH1A1 (0.40) ALDH1A1PDE4BNPC1
SCHEMBL4342266 0.82 ALDH1A1 (0.40) ALDH1A1PDE4BNPC1
SCHEMBL9137609 0.81 MEN1 (0.49) ALDH1A1
SCHEMBL8783095 0.81 MEN1 (0.49) ALDH1A1
SCHEMBL15397583 0.81 KDM1A (0.50) TLR2TLR1ALDH1A1HRH3SLC9A1

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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 TLR2 1856/4885TLR1 3477/4885ALDH1A1 2328/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 TLR2 1856/4885TLR1 3477/4885ALDH1A1 2328/4885

“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.