SCHEMBL21887572

SCHEMBL21887572

CC(C)(C)OC(=O)C[C@H]1CC[C@H](C(=O)Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
KMT2A Q03164 2/20 0.36
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BTK Q06187 1/20 0.33
LIPA P38571 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.30
PLA2G10 O15496 1/20 0.30
PLA2G5 P39877 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
SCHEMBL28339790 1.00 NR1H2 (0.37) NR1H2KMT2ATHRATHRBCHRM2
SCHEMBL1932287 0.87 NR1H2 (0.41) NR1H2KMT2ATHRATHRBCHRM2
SCHEMBL21805629 0.85 NR1H2 (0.36) NR1H2KMT2ATHRATHRBCHRM2
SCHEMBL21805630 0.85 NR1H2 (0.36) NR1H2KMT2ATHRATHRBCHRM2
SCHEMBL174440 0.84 KMT2A (0.49) NR1H2KMT2ATHRATHRBSMN1; SMN2
SCHEMBL5793678 0.84 KMT2A (0.49) NR1H2KMT2ATHRATHRBSMN1; SMN2
SCHEMBL10281225 0.83 SMN1; SMN2 (0.37) NR1H2KMT2ATHRATHRBCHRM1
SCHEMBL5789645 0.81 SMN1; SMN2 (0.41) NR1H2KMT2ATHRATHRBSMN1; SMN2
SCHEMBL5789642 0.81 SMN1; SMN2 (0.41) NR1H2KMT2ATHRATHRBSMN1; SMN2
SCHEMBL23223892 0.80 NR1H2 (0.40) NR1H2KMT2ACHRM2CHRM1CHRM3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609888-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF LILLY CO ELI (US) 2025-08-27 EP disclosed
EP-4596041-A2 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Organovo, Inc. (US) 2025-08-06 EP disclosed
CN-110637015-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-04-02 CN disclosed
US-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2022-03-24 US disclosed
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 US disclosed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 US disclosed
CN-113056264-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
WO-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
CN-110637015-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2019-12-31 CN 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 (4 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 NR1H2 2/4885KMT2A 4719/4885THRA 226/4885
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NR1H2 2/4885KMT2A 4719/4885THRA 226/4885
US-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NR1H2 2/4885KMT2A 4719/4885THRA 226/4885
US-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 NR1H2 2/4885KMT2A 4719/4885THRA 226/4885

“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.