SCHEMBL30107036

SCHEMBL30107036

Cc1n[nH]c(C(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.42
DAO P14920 1/20 0.42
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4D Q08499 1/20 0.34
HCAR3 P49019 1/20 0.34
IL1B P01584 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALPL P05186 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL15871865 0.80 UMPS (0.40) HCAR2DAOKDM4CLMNAPDE4D
SCHEMBL15824828 0.79 DYRK1A (0.44) HCAR2DAOKDM4CLMNAMEN1
SCHEMBL23115860 0.77 KDM4C (0.67) KDM4CLMNAMEN1KMT2APDE4D
SCHEMBL9957355 0.76 HCAR2 (0.36) HCAR2DAOLMNAMEN1KMT2A
SCHEMBL3949817 0.76 HCAR2 (0.48) HCAR2DAOKDM4CLMNAMEN1
SCHEMBL14879418 0.76 HCAR2 (0.48) HCAR2DAOLMNAMEN1KMT2A
SCHEMBL7254688 0.74 KDM4C (0.48) HCAR2KDM4CKMT2ATSHR
SCHEMBL2776365 0.72 HCAR2 (0.35) HCAR2DAOLMNAMEN1KMT2A
SCHEMBL4652482 0.72 HCAR2 (0.43) HCAR2DAOLMNAMEN1KMT2A
SCHEMBL2791482 0.70 HCAR2 (0.32) HCAR2DAOKDM4CLMNAMEN1

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-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US disclosed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 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-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A HCAR2 565/4885DAO 3599/4885KDM4C 3311/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A HCAR2 565/4885DAO 3599/4885KDM4C 3311/4885

“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.