SCHEMBL22925985

SCHEMBL22925985

O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
VCP P55072 1/20 0.40
DGAT1 O75907 1/20 0.40
GCGR P47871 6/20 0.39
ALOX5 P09917 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL22925988 1.00 TRPV1 (0.40) TRPV1HDAC1HDAC6VCPDGAT1
SCHEMBL22925675 1.00 TRPV1 (0.40) TRPV1HDAC1HDAC6VCPDGAT1
SCHEMBL29620979 1.00 TRPV1 (0.40) TRPV1HDAC1HDAC6VCPDGAT1
SCHEMBL29620976 1.00 TRPV1 (0.40) TRPV1HDAC1HDAC6VCPDGAT1
SCHEMBL28733627 0.91 ALOX5 (0.47) HDAC1HDAC6VCPDGAT1GCGR
SCHEMBL22925620 0.91 ALOX5 (0.47) HDAC1HDAC6VCPDGAT1GCGR
SCHEMBL29620962 0.91 ALOX5 (0.47) HDAC1HDAC6VCPDGAT1GCGR
SCHEMBL24636898 0.89 SCN9A (0.36) GCGRHIF1AEPAS1
SCHEMBL22925698 0.89 SCN9A (0.36) GCGRHIF1AEPAS1
SCHEMBL29620956 0.89 SCN9A (0.36) GCGRHIF1AEPAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO 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 (1 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB TRPV1 4690/4885HDAC1 19/4885HDAC6 42/4885

“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.