SCHEMBL25968833

SCHEMBL25968833

C[C@H](O)C(F)(F)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PTPN1 P18031 3/20 0.48
PTPRC P08575 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR2C P28335 1/20 0.46
SLC15A1 P46059 1/20 0.45
CTRB1 P17538 1/20 0.44
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ATM Q13315 1/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43

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
SCHEMBL20934789 0.88 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL10475817 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL15114666 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL30600448 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL25808939 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL19105239 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL12128693 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL29816067 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL3296385 0.80 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL27711459 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPK1L3MBTL1

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-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 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-20230257362-A1 TRIAZOLONE COMPOUND WNK3, SLC10A1, WNK2 ALDH1A1 1303/4885KMT2A 2247/4885MEN1 1725/4885

“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.