SCHEMBL20173801

SCHEMBL20173801

CC(C)N1CCc2cc(NC(=O)NS(=O)(=O)C3(C)CC3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 8/20 0.47
KCNAB1 Q14722 8/20 0.47
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
POLB P06746 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TMPRSS2 O15393 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
NAMPT P43490 1/20 0.35
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20119296 0.86 KCNA1 (0.49) KCNA1KCNAB1NPC1RAB9APOLB
SCHEMBL20173798 0.83 HDAC6 (0.44) CA1CA2CA9NAMPT
SCHEMBL20173802 0.81 HRH3 (0.39) CA1CA2CA9
SCHEMBL21882641 0.76 MOGAT2 (0.35) NPC1RAB9AKMT2A
SCHEMBL22003804 0.73 ACLY (0.49) NPC1RAB9ANAMPT
SCHEMBL8136173 0.69 TMPRSS2 (0.36) TMPRSS2NAMPTMEN1KMT2A
SCHEMBL20119182 0.68 HDAC6 (0.46)
SCHEMBL20173800 0.67 HDAC6 (0.46) NPC1RAB9A
SCHEMBL20173793 0.66 ALDH1A1 (0.51)
SCHEMBL20119483 0.66 DRD1 (0.46) CA1CA2CA9MEN1KMT2A

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 KCNA1 4240/4885KCNAB1 4190/4885NPC1 89/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KCNA1 4240/4885KCNAB1 4190/4885NPC1 89/4885

“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.