SCHEMBL23922617

SCHEMBL23922617

CSCC[C@H](NC(=O)CC(C)/C=C/CCS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
HDAC2 Q92769 1/20 0.47
FNTA P49354 5/20 0.44
FNTB P49356 5/20 0.44
PGGT1B P53609 2/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL23922585 0.89 CYP2C9 (0.62) CYP2C9HDAC2FNTAFNTBALDH1A1
SCHEMBL18618664 0.87 HDAC2 (0.62) HDAC2FNTAFNTBPGGT1BLMNA
SCHEMBL23922590 0.83 HDAC2 (0.57) HDAC2
SCHEMBL18619952 0.83 FNTA (0.52) CYP2C9HDAC2FNTAFNTBPGGT1B
SCHEMBL23922597 0.79 ALDH1A1 (0.43) HDAC2ALDH1A1TSHR
SCHEMBL18619712 0.79 HDAC2 (0.53) CYP2C9HDAC2FNTAFNTBPGGT1B
SCHEMBL9554921 0.77 FOLH1 (0.53) FNTAFNTBPGGT1BALDH1A1GAA
SCHEMBL11413338 0.77 FOLH1 (0.53) FNTAFNTBPGGT1BALDH1A1GAA
SCHEMBL23922593 0.77 ALDH1A1 (0.38) HDAC2FNTAFNTBALDH1A1TSHR
SCHEMBL18618668 0.77 HDAC2 (0.65) CYP2C9HDAC2FNTAFNTBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149062-B2 HDAC inhibitors and methods of treatment using the same UWM RESEARCH FOUNDATION, INC. (US) 2021-10-19 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 (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-11149062-B2 HDAC inhibitors and methods of treatment using the same HDAC4, HDAC2, HDAC8 CYP2C9 4602/4885HDAC2 2/4885FNTA 4294/4885

“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.