SCHEMBL20178591

SCHEMBL20178591

COC(=O)c1ccc(S)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
GAA P10253 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
CFTR P13569 2/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL14012584 0.81 CES2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL523258 0.81 CES2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL9428167 0.81 GAA (0.45) CA12CA1CA2CA7CA9
SCHEMBL8252765 0.80 GAA (0.47) CA12CA1CA2CA7CA9
SCHEMBL27340989 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL177038 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL507988 0.79 CYP46A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL523320 0.79 KDM4E (0.62) CA12CA1CA2CA7CA9
SCHEMBL522653 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL24452130 0.79 MAOB (0.49) ALDH1A1HPGDKMT2ASMN1; SMN2TRPV4

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 CA12 4171/4885CA1 2735/4885CA2 2302/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 CA12 4171/4885CA1 2735/4885CA2 2302/4885

“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.