SCHEMBL21834026

SCHEMBL21834026

C[C@]1(C(=O)O)CC[C@H](C(=O)C=[N+]=[N-])CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.43
NR3C2 P08235 1/20 0.32
GRM2 Q14416 2/20 0.30
GRM3 Q14832 2/20 0.30
GRM4 Q14833 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
LMNA P02545 1/20 0.30
GRM5 P41594 1/20 0.30
MTOR P42345 1/20 0.30
GRM1 Q13255 1/20 0.30
PLCB1 Q9NQ66 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL21834027 1.00 FFAR3 (0.43) FFAR3NR3C2GRM2GRM3GRM4
SCHEMBL10500490 0.84 NR3C2 (0.34) NR3C2
SCHEMBL21805094 0.74 PLG (0.39) CYP2C19LMNATSHR
SCHEMBL431288 0.73 FFAR3 (0.59) FFAR3GRM2GRM3GRM4CYP1A2
SCHEMBL11799188 0.73 FFAR3 (0.59) FFAR3GRM2GRM3GRM4CYP1A2
SCHEMBL3470932 0.71 FFAR3 (0.56) FFAR3GRM2GRM3GRM4CYP1A2
SCHEMBL1742470 0.71 CES2 (0.44) TSHR
SCHEMBL16892280 0.71 FFAR3 (0.56) FFAR3GRM2GRM3GRM4CYP1A2
SCHEMBL23458958 0.71 FFAR3 (0.62) FFAR3GRM2GRM3GRM4CYP1A2
SCHEMBL21834030 0.70 FFAR3 (0.54) FFAR3GRM2GRM3GRM4CYP1A2

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
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 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 (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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 FFAR3 73/4885NR3C2 86/4885GRM2 1013/4885

“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.