SCHEMBL20501588

SCHEMBL20501588

CC(C)C(O)CNC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ECE1 P42892 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL4082501 0.82 CYP2D6 (0.42) CYP2D6CYP2C19MEN1KMT2AECE1
SCHEMBL10308211 0.80 MTNR1A (0.40) CYP2D6CYP2C19MEN1KMT2AALDH1A1
SCHEMBL11676865 0.79 CYP2D6 (0.54) CYP2D6CYP2C19TP53MEN1KMT2A
SCHEMBL30572006 0.79 CYP2D6 (0.54) CYP2D6CYP2C19TP53MEN1KMT2A
SCHEMBL3115481 0.79
SCHEMBL593908 0.79
SCHEMBL1982391 0.79
SCHEMBL6728230 0.77 CYP2D6 (0.64) CYP2D6CYP2C19TP53MEN1KMT2A
SCHEMBL28716386 0.77 CYP2D6 (0.64) CYP2D6CYP2C19TP53MEN1KMT2A
SCHEMBL28386448 0.76 CYP2D6 (0.45) CYP2D6CYP2C19

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
EP-3609888-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2020-02-19 EP claimed
WO-2018170182-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO claimed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 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-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 CYP2D6 1529/4885CYP2C19 1340/4885TP53 3878/4885

“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.