SCHEMBL20173756

SCHEMBL20173756

CC(C)c1ccc2ncc(C(=O)O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
EGLN1 Q9GZT9 7/20 0.47
MLKL Q8NB16 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
TRPM8 Q7Z2W7 3/20 0.41
GABRA1 P14867 1/20 0.41
EIF4A3 P38919 1/20 0.41
OGA O60502 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
PSMD14 O00487 1/20 0.40

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
SCHEMBL1645224 0.88 MGAM (0.57) MGAMEGLN1SMN1; SMN2RXRARXRB
SCHEMBL19966737 0.86 HPGDS (0.50) MGAMEGLN1SMN1; SMN2HDAC6PSMD14
SCHEMBL27970954 0.85 RXRA (0.62) MGAMEGLN1RXRARXRBRXRG
SCHEMBL20173757 0.84 ALOX15 (0.50) SMN1; SMN2OGAHDAC6PSMD14
SCHEMBL10465639 0.81 MGAM (0.70) MGAMSMN1; SMN2GABRA1PSMD14
SCHEMBL10199417 0.79 NPC1 (0.44) EGLN1SMN1; SMN2
SCHEMBL7728789 0.79 MGAM (0.62) MGAMSMN1; SMN2PSMD14
SCHEMBL61876 0.77 MGAM (0.64) MGAMGABRA1PSMD14
SCHEMBL8081677 0.76 KDM4E (0.55) MLKLSMN1; SMN2RXRARXRBRXRG
SCHEMBL2306751 0.76 MGAM (0.62) MGAMEGLN1TRPM8PSMD14

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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 MGAM 3623/4885EGLN1 3748/4885MLKL 2549/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 MGAM 3623/4885EGLN1 3748/4885MLKL 2549/4885

“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.