SCHEMBL21882589

SCHEMBL21882589

CC(S)N1Cc2cccc(C(F)(F)F)c2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.38
KCNH2 Q12809 5/20 0.37
TMEM97 Q5BJF2 5/20 0.37
SIGMAR1 Q99720 5/20 0.37
TEAD1 P28347 1/20 0.37
TEAD4 Q15561 1/20 0.37
TEAD2 Q15562 1/20 0.37
NOTUM Q6P988 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
PHGDH O43175 1/20 0.34
P2RX7 Q99572 1/20 0.34
DRD2 P14416 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MC4R P32245 1/20 0.32
AADAT Q8N5Z0 1/20 0.31

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 0.89 ACACB (0.40) ACACBKCNH2TMEM97SIGMAR1TEAD1
SCHEMBL21882595 0.82 KCNH2 (0.44) ACACBKCNH2TMEM97SIGMAR1TEAD1
SCHEMBL11540527 0.77 ACACB (0.41) ACACBTEAD1TEAD4TEAD2NOTUM
SCHEMBL20173789 0.76 KCNH2 (0.37) ACACBKCNH2TMEM97SIGMAR1MEN1
SCHEMBL20178642 0.75 NOTUM (0.43) ACACBTEAD1TEAD4TEAD2NOTUM
SCHEMBL20178634 0.73 MEN1 (0.52) KCNH2NOTUMMEN1KMT2AMC4R
SCHEMBL20178676 0.71 HTR2A (0.43) KCNH2TMEM97SIGMAR1
SCHEMBL20173788 0.70 PDE2A (0.35) ACACBKCNH2TMEM97SIGMAR1
SCHEMBL21882783 0.69 DRD2 (0.42) ACACBTEAD1TEAD4TEAD2NOTUM
SCHEMBL13243094 0.68 KCNH2 (0.58) KCNH2TMEM97SIGMAR1TRPV3DRD2

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 ACACB 797/4885KCNH2 4447/4885TMEM97 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.