SCHEMBL20178671

SCHEMBL20178671

CCCC(C)N1Cc2cnc(C(F)(F)F)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 14/20 0.39
SIGMAR1 Q99720 14/20 0.39
SLC6A9 P48067 1/20 0.39
KCNH2 Q12809 13/20 0.37
ACHE P22303 1/20 0.34
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL20173785 0.82 SLC6A9 (0.42) TMEM97SIGMAR1SLC6A9KCNH2
SCHEMBL20178672 0.76 SLC6A9 (0.38) SLC6A9KCNH2
SCHEMBL20178630 0.74 SLC6A9 (0.40) SLC6A9KCNH2
SCHEMBL20178677 0.71 UBE2M (0.35) TMEM97SIGMAR1KCNH2ACHEUBE2M
SCHEMBL20178662 0.71 TRPV4 (0.38) SLC6A9
SCHEMBL20307155 0.67 MEN1 (0.59) TMEM97SIGMAR1KCNH2
SCHEMBL4821952 0.63 SLC6A9 (0.42) SLC6A9KCNH2
SCHEMBL3872838 0.63 SLC6A9 (0.35) SLC6A9
SCHEMBL21725507 0.63 IDH1 (0.31)
SCHEMBL30488188 0.63 KDM4E (0.52)

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 2 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

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 TMEM97 192/4885SIGMAR1 397/4885SLC6A9 559/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 TMEM97 192/4885SIGMAR1 397/4885SLC6A9 559/4885

“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.