SCHEMBL21667705

SCHEMBL21667705

CC(C)CCC(=O)NS(=O)(=O)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.45
HTR6 P50406 1/20 0.44
EGFR P00533 3/20 0.44
ERBB2 P04626 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LARS1 Q9P2J5 3/20 0.43
GBA1 P04062 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41

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
SCHEMBL23676417 0.84 FBP1 (0.56) HTR6
SCHEMBL21667709 0.83 NPSR1 (0.56) HTR6ALDH1A1MMP1MMP2MMP7
SCHEMBL21667749 0.83 EGFR (0.59) EGFRERBB2ALDH1A1MMP1MMP2
SCHEMBL23030205 0.83 LARS1 (0.56) EGFRERBB2LARS1ALDH1A1MMP2
SCHEMBL18019204 0.83 LARS1 (0.64) EGFRERBB2LARS1MMP1MMP2
SCHEMBL26723622 0.82 FBP1 (0.49) KAT6AHTR6EGFRERBB2HDAC3
SCHEMBL21667756 0.82 FBP1 (0.55)
SCHEMBL6848795 0.79 CA1 (0.53) KAT6AHTR6EGFRERBB2HDAC3
SCHEMBL13649414 0.76 PKM (0.54) KAT6AHTR6HDAC3HDAC4HDAC1
SCHEMBL19801178 0.76 CA1 (0.39) EGFRERBB2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3830103-B1 FLUORINATED BILE ACID DERIVATIVES NZP UK LTD (GB) 2023-11-08 EP disclosed
US-11517577-B2 Fluorinated bile acid derivatives NZP UK Limited (GB) 2022-12-06 US disclosed
US-20210299148-A1 FLUORINATED BILE ACID DERIVATIVES NZP UK Limited (GB) 2021-09-30 US disclosed
WO-2020025942-A1 FLUORINATED BILE ACID DERIVATIVES NZP UK Limited (GB) 2020-02-06 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 (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-20210299148-A1 FLUORINATED BILE ACID DERIVATIVES NR1H4, FXR1, GPBAR1 KAT6A 1615/4885HTR6 4220/4885EGFR 245/4885
US-11517577-B2 Fluorinated bile acid derivatives NR1H4, FXR1, GPBAR1 KAT6A 1615/4885HTR6 4220/4885EGFR 245/4885

“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.