SCHEMBL20047587

SCHEMBL20047587

Cc1c(C(C)C)ccc2nc(C(C)(C)C)sc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL17050425 0.83 ACACB (0.35) CCR4
SCHEMBL14681025 0.78 ADORA2A (0.35) ADORA2AADORA1
SCHEMBL20043206 0.78 CASR (0.33) ADORA2AADORA1
SCHEMBL23502413 0.78 RORC (0.34) CCR4
SCHEMBL12340974 0.69 CASR (0.43) CCR4ADORA2AADORA1
SCHEMBL17050427 0.69 ACACB (0.36)
SCHEMBL20047517 0.68 TLR8 (0.36)
SCHEMBL23502492 0.68 GAA (0.41)
SCHEMBL14684234 0.67 RAB9A (0.43)
SCHEMBL20043215 0.67

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-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CCR4 1960/4885ADORA2A 699/4885ADORA1 512/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CCR4 1960/4885ADORA2A 699/4885ADORA1 512/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CCR4 1960/4885ADORA2A 699/4885ADORA1 512/4885

“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.