SCHEMBL21882576

SCHEMBL21882576

COC(=O)c1ccc(SC)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
LMNA P02545 4/20 0.51
HSD17B10 Q99714 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALOX15 P16050 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 2/20 0.49

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
SCHEMBL31704158 0.86 MAPT (0.56) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL17290737 0.81 MEN1 (0.48) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL7361541 0.81 CA1 (0.65) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL12492117 0.81 TAS1R3 (0.56) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL8402587 0.80 LMNA (0.53) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL6112852 0.80 AR (0.43) MAPTALDH1A1HPGDLMNAL3MBTL1
SCHEMBL25465981 0.80 ALDH1A1 (0.59) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL14012582 0.80 CES2 (0.59) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL29664708 0.80 CES2 (0.59) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL383936 0.80 CES2 (0.59) MAPTKDM4EALDH1A1HPGDLMNA

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 MAPT 2493/4885KDM4E 4005/4885ALDH1A1 2185/4885

“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.