SCHEMBL21882595

SCHEMBL21882595

CCC(C)N1Cc2cccc(C(F)(F)F)c2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
TMEM97 Q5BJF2 8/20 0.44
SIGMAR1 Q99720 8/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 2/20 0.39
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
MC4R P32245 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL20119408 0.86 ACACB (0.40) KCNH2TMEM97SIGMAR1MEN1KMT2A
SCHEMBL21882589 0.82 ACACB (0.38) KCNH2TMEM97SIGMAR1MEN1KMT2A
SCHEMBL21882784 0.78 ACHE (0.31) KCNH2TMEM97SIGMAR1
SCHEMBL11540527 0.75 ACACB (0.41) ACACBTEAD1TEAD4TEAD2TRPV3
SCHEMBL13180668 0.75 MEN1 (0.63) KCNH2TMEM97SIGMAR1MEN1KMT2A
SCHEMBL20173789 0.73 KCNH2 (0.37) KCNH2TMEM97SIGMAR1MEN1KMT2A
SCHEMBL21882783 0.73 DRD2 (0.42) KMT2AACACBTEAD1TEAD4TEAD2
SCHEMBL20178642 0.73 NOTUM (0.43) MEN1KMT2AACACBTEAD1TEAD4
SCHEMBL21882615 0.70 TMEM97 (0.60) KCNH2TMEM97SIGMAR1MEN1KMT2A
SCHEMBL21725631 0.70 P2RX7 (0.35) ACACBMC4RNOTUM

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KCNH2 4447/4885TMEM97 192/4885SIGMAR1 397/4885

“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.