SCHEMBL6009922

SCHEMBL6009922

C[C@H](NCCCS(=O)(=O)O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 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
SCHEMBL6009898 1.00 HTT (0.43) HTTALDH1A1KMT2ALMNAMITF
SCHEMBL6009893 1.00 HTT (0.43) HTTALDH1A1KMT2ALMNAMITF
SCHEMBL355211 0.86 SMN1; SMN2 (0.40) KMT2ALMNAKDM4EHTR1AHTR7
SCHEMBL13330197 0.86 LMNA (0.39) HTTALDH1A1KMT2ALMNAHTR1A
SCHEMBL353936 0.86 SMN1; SMN2 (0.40) KMT2ALMNAKDM4EHTR1AHTR7
SCHEMBL13330232 0.86 LMNA (0.39) HTTALDH1A1KMT2ALMNAHTR1A
SCHEMBL353073 0.85 GABBR2 (0.42) HTTALDH1A1KMT2ALMNAHTR1A
SCHEMBL355152 0.85 SMN1; SMN2 (0.40) ALDH1A1LMNAKDM4EPOLB
SCHEMBL355588 0.85 SMN1; SMN2 (0.40) ALDH1A1LMNAKDM4EPOLB
SCHEMBL354128 0.85 GABBR2 (0.42) HTTALDH1A1KMT2ALMNAHTR1A

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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR HTT 16/4885ALDH1A1 1915/4885KMT2A 3737/4885

“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.