SCHEMBL4879752

SCHEMBL4879752

COc1ccc2cc(CNCc3ccccc3)c(-c3ccsc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 18/20 1.00
TACR3 P29371 1/20 0.53
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48

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
SCHEMBL4880446 0.94 GPBAR1 (1.00) GPBAR1PDGFRBPDGFRA
SCHEMBL4874706 0.91 GPBAR1 (1.00) GPBAR1PDGFRBPDGFRA
SCHEMBL4880217 0.91 GPBAR1 (0.86) GPBAR1PDGFRBPDGFRA
SCHEMBL4873616 0.89 GPBAR1 (0.80) GPBAR1PDGFRBPDGFRA
SCHEMBL4740522 0.87 GPBAR1 (0.83) GPBAR1PDGFRBPDGFRA
SCHEMBL4741901 0.87 GPBAR1 (0.76) GPBAR1PDGFRBPDGFRA
SCHEMBL4871712 0.86 GPBAR1 (0.76) GPBAR1PDGFRBPDGFRA
SCHEMBL4739253 0.86 GPBAR1 (0.82) GPBAR1PDGFRBPDGFRA
SCHEMBL4739893 0.86 GPBAR1 (0.80) GPBAR1
SCHEMBL4741402 0.84 GPBAR1 (0.72) GPBAR1PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS VIKING THERAPEUTICS, INC. 2022-01-20 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 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 (2 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-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS FABP1, SLC10A1, TSHR GPBAR1 15/4885TACR3 985/4885PDGFRB 1990/4885
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE GPR119, GPBAR1, LDLR GPBAR1 2/4885TACR3 407/4885PDGFRB 1505/4885

“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.