SCHEMBL20178619

SCHEMBL20178619

CC(NS(=O)(=O)C1CC1)Oc1cccc(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.42
HTR1A P08908 7/20 0.40
HTR7 P34969 7/20 0.40
CASP1 P29466 1/20 0.40
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.37
ADRA1D P25100 2/20 0.37
HTR2A P28223 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
HTR6 P50406 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL20173765 0.79 ACHE (0.45) HTR1AHTR7CASP1POLBMEN1
SCHEMBL15614452 0.73 OPRM1 (0.48) PGRADRA1ACA2
SCHEMBL20173758 0.71 KAT6A (0.52)
SCHEMBL20173762 0.69 CA2 (0.56) MEN1KMT2ALMNACA1CA2
SCHEMBL2737262 0.69 KDM4E (0.49) MEN1KMT2AHDAC4HDAC8KDM4E
SCHEMBL5608503 0.69 KDM4E (0.49) MEN1KMT2AHDAC4HDAC8KDM4E
SCHEMBL17806594 0.67 AKR1C3 (0.41) HTR1AHTR7PGRDRD2ADRA1D
SCHEMBL12766191 0.66 PDE3B (0.46) MEN1KMT2AHDAC4HDAC8KDM4E
SCHEMBL20828364 0.66 ALDH1A1 (0.45) POLBMEN1KMT2AHDAC4HDAC8
SCHEMBL22227897 0.66 ALDH1A1 (0.45) POLBMEN1KMT2AHDAC4HDAC8

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 NR3C1 959/4885HTR1A 2981/4885HTR7 1236/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 NR3C1 959/4885HTR1A 2981/4885HTR7 1236/4885

“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.