SCHEMBL10109673

SCHEMBL10109673

C[C@H](C[C@H](C)C(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 12/20 1.00
▸ NR1H4 Q96RI1 5/20 1.00
▸ NR3C1 P04150 1/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ ABCB11 O95342 2/20 0.74
▸ SLC10A2 Q12908 2/20 0.74
▸ LMNA P02545 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ CHRM2 P08172 1/20 0.74
▸ ADRA2A P08913 1/20 0.74
▸ ADRA1A P35348 1/20 0.74
▸ TDP1 Q9NUW8 1/20 0.74
▸ ENPP2 Q13822 1/20 0.74
▸ SLC10A1 Q14973 1/20 0.74
▸ CISD1 Q9NZ45 1/20 0.74
▸ CYP3A4 P08684 1/20 0.74

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
SCHEMBL592933 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL10123477 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL9760793 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL5525191 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL9760600 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL593794 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL24712916 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL9759995 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL19116123 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A
SCHEMBL5522889 1.00 GPBAR1 (1.00) GPBAR1NR1H4NR3C1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016295-A1 TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS INC (US) 2018-01-18 — — US disclosed
US-20180016295-A1 TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS INC (US) 2018-01-18 — — US disclosed
US-9650409-B2 TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2017-05-16 — — US disclosed
US-9650409-B2 TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2017-05-16 — — US disclosed
US-8410083-B2 23-substituted bile acids as TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2013-04-02 — — US disclosed
US-8114862-B2 TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2012-02-14 — — US disclosed
US-20110003782-A1 23-Substituted Bile Acids as TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS, INC. 2011-01-06 — — US disclosed
US-20100152151-A1 TGR5 MODULATORS AND METHODS OF USE THEROF INTERCEPT PHARMACEUTICALS, INC. (US) 2010-06-17 — — 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 (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-20110003782-A1 23-Substituted Bile Acids as TGR5 Modulators and Methods of Use Thereof GPBAR1, NR1H4, SLC10A1 GPBAR1 1/4885NR1H4 2/4885NR3C1 472/4885
US-20100152151-A1 TGR5 MODULATORS AND METHODS OF USE THEROF SLC10A1, GPBAR1, SLC5A1 GPBAR1 2/4885NR1H4 18/4885NR3C1 774/4885
US-20180016295-A1 TGR5 Modulators and Methods of Use Thereof GPBAR1, SLC10A1, SLC5A1 GPBAR1 1/4885NR1H4 23/4885NR3C1 670/4885

“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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