SCHEMBL20178677

SCHEMBL20178677

CCCC(C)N1Cc2cncc(C(F)(F)F)c2C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 5/20 0.35
DCUN1D1 Q96GG9 5/20 0.35
TMEM97 Q5BJF2 4/20 0.34
SIGMAR1 Q99720 4/20 0.34
KCNH2 Q12809 4/20 0.34
ACHE P22303 1/20 0.33
CCR5 P51681 3/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL21882784 0.89 ACHE (0.31) TMEM97SIGMAR1KCNH2ACHEAR
SCHEMBL20173791 0.83 MITF (0.32)
SCHEMBL20178681 0.74 LMNA (0.33)
SCHEMBL20178675 0.74
SCHEMBL21882591 0.71 CYP1A2 (0.34)
SCHEMBL20178671 0.71 TMEM97 (0.39) UBE2MDCUN1D1TMEM97SIGMAR1KCNH2
SCHEMBL21882595 0.68 KCNH2 (0.44) TMEM97SIGMAR1KCNH2
SCHEMBL20307155 0.66 MEN1 (0.59) TMEM97SIGMAR1KCNH2
SCHEMBL24988968 0.65 LIMK1 (0.35) UBE2MDCUN1D1ACHE
SCHEMBL20119408 0.61 ACACB (0.40) TMEM97SIGMAR1KCNH2

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 UBE2M 2623/4885DCUN1D1 3985/4885TMEM97 192/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 UBE2M 2623/4885DCUN1D1 3985/4885TMEM97 192/4885

“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.