SCHEMBL13015734

SCHEMBL13015734

C[C@H](CCC(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](OC=O)CC1C[C@H]3OC=O

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 11/20 0.84
▸ NR1H4 Q96RI1 4/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ABCB11 O95342 2/20 0.60
▸ SLC10A2 Q12908 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ ENPP2 Q13822 1/20 0.60
▸ SLC10A1 Q14973 1/20 0.60
▸ CISD1 Q9NZ45 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ USP2 O75604 1/20 0.58
▸ VDR P11473 1/20 0.58

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
SCHEMBL9322047 1.00 GPBAR1 (0.84) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL11052811 1.00 GPBAR1 (0.84) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL18583333 1.00 GPBAR1 (0.84) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL10035899 1.00 GPBAR1 (0.84) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL11056472 0.93 GPBAR1 (0.84) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL11061114 0.93 GPBAR1 (0.84) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19278643 0.92 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19278483 0.92 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL23961019 0.91 GPBAR1 (0.72) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL17303267 0.90 GPBAR1 (0.74) GPBAR1NR1H4MEN1KMT2AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028111-B2 Compound for treating metabolic diseases and preparation method and use thereof XI' AN BIOCARE PHARMA LTD. (CN) 2021-06-08 — — US disclosed
EP-3730509-A1 COMPOUND FOR TREATING METABOLIC DISEASES AND PREPARATION METHOD AND USE THEREOF Xi' An Biocare Pharma (CN) 2020-10-28 — — EP disclosed
US-20200131212-A1 COMPOUND FOR TREATING METABOLIC DISEASES AND PREPARATION METHOD AND USE THEREOF XI' AN BIOCARE PHARMA LTD. (CN) 2020-04-30 — — US disclosed
US-7858608-B2 Bile acid derivatives as FXR ligands for the prevention or treatment of FXR-mediated diseases or conditions INTERCEPT PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20100063018-A1 BILE ACID DERIVATIVES AS FXR LIGANDS FOR THE PREVENTION OR TREATMENT OF FXR-MEDIATED DISEASES OR CONDITIONS INTERCEPT PHARMACEUTICALS, INC. (US) 2010-03-11 — — US disclosed
WO-2007095174-A2 BILE ACID DERIVATIVES AS FXR LIGANDS FOR THE PREVENTION OR TREATMENT OF FXR-MEDIATED DISEASES OR CONDITIONS INTERCEPT PHARMACEUTICALS, INC. (US) 2007-08-23 — — 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 (3 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-20200131212-A1 COMPOUND FOR TREATING METABOLIC DISEASES AND PREPARATION METHOD AND USE THEREOF NR1H4, GPBAR1, SLC10A1 GPBAR1 2/4885NR1H4 1/4885MEN1 1919/4885
US-20100063018-A1 BILE ACID DERIVATIVES AS FXR LIGANDS FOR THE PREVENTION OR TREATMENT OF FXR-MEDIATED DISEASES OR CONDITIONS NR1H4, SLC10A1, FXR1 GPBAR1 6/4885NR1H4 1/4885MEN1 2690/4885
US-11028111-B2 Compound for treating metabolic diseases and preparation method and use thereof NR1H4, GPBAR1, SLC10A1 GPBAR1 2/4885NR1H4 1/4885MEN1 1919/4885

“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.

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