SCHEMBL20501441

SCHEMBL20501441

CCC(O)C(C)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 1/20 0.34
MME P08473 2/20 0.34
ACE P12821 2/20 0.34
CPA1 P15085 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL16165213 1.00 CYP2D6 (0.36) CYP2D6CYP2C19ALDH1A1TSHRMMP1
SCHEMBL16164954 0.82 CHRM1 (0.39) CYP2D6CYP2C19ALDH1A1TSHRRAB9A
SCHEMBL12073094 0.81 TRPV1 (0.41) ALDH1A1TSHRMMP1MMP2MMP3
SCHEMBL15619355 0.79 ALDH1A1 (0.38) CYP2D6CYP2C19ALDH1A1TSHRTP53
SCHEMBL16164213 0.79 ALDH1A1 (0.42) CYP2D6CYP2C19ALDH1A1MMECPA1
SCHEMBL5631676 0.79 GABRR1 (0.34) CYP2D6CYP2C19TP53
SCHEMBL16876467 0.79 ALDH1A1 (0.38) CYP2D6CYP2C19ALDH1A1TSHRTP53
SCHEMBL5631671 0.79 GABRR1 (0.34) CYP2D6CYP2C19TP53
SCHEMBL16964293 0.79 ALDH1A1 (0.38) CYP2D6CYP2C19ALDH1A1TSHRTP53
SCHEMBL5378210 0.79 ALDH1A1 (0.38) CYP2D6CYP2C19ALDH1A1TSHRTP53

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 1340/4885ALDH1A1 2205/4885

“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.