SCHEMBL21556097

SCHEMBL21556097

O=S(=O)(Cl)c1ccc(OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR4 Q5NUL3 2/20 0.36
PTPRZ1 P23471 1/20 0.35
HSD11B1 P28845 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
NOD1 Q9Y239 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.34
FBP1 P09467 1/20 0.34
KIF11 P52732 1/20 0.33
RORC P51449 1/20 0.33
HTR2A P28223 1/20 0.33
HTT P42858 1/20 0.32
PKM P14618 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
SCHEMBL6632895 0.87 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1FFAR4PTPRZ1
SCHEMBL65853 0.84 FFAR4 (0.49) ALDH1A1HSD17B10TDP1FFAR4BCHE
Ammonia Solution, Strong SCHEMBL26923048 0.82 FFAR4 (0.47) ALDH1A1HSD17B10TDP1FFAR4BCHE
SCHEMBL20474626 0.81 ALDH1A1 (0.55) ALDH1A1TDP1PTGS2PTGS1KIF11
SCHEMBL3310741 0.79 MMP9 (0.54) ALDH1A1FFAR4BCHEACHEMMP2
SCHEMBL1489401 0.79 TRPV1 (0.40) ALDH1A1HSD17B10TDP1FFAR4PTPRZ1
SCHEMBL9778890 0.79 HTT (0.47) ALDH1A1HSD17B10TDP1HSD11B1MMP2
SCHEMBL11683700 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1FFAR4PTPRZ1
SCHEMBL4323508 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1FFAR4PTGS2
SCHEMBL28829759 0.75 ALDH1A1 (0.35) ALDH1A1HSD17B10TDP1FFAR4PTPRZ1

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-10472386-B2 Bile acid derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-11-12 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-10472386-B2 Bile acid derivatives as FXR agonists and methods of use thereof NR1H4, GPBAR1, SLC10A1 ALDH1A1 1993/4885HSD17B10 198/4885TDP1 2842/4885

“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.