SCHEMBL20173762

SCHEMBL20173762

CC(C)c1cccc(NC(=O)NS(=O)(=O)C2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FADS1 O60427 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 1/20 0.45
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
KDR P35968 3/20 0.41
EPHB4 P54760 2/20 0.41
TEK Q02763 2/20 0.41

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
SCHEMBL20118984 0.82 NPC1 (0.57) MEN1KMT2ARXFP1
SCHEMBL22572870 0.81 CA2 (0.61) CA2MEN1KMT2AFADS1LMNA
SCHEMBL15614452 0.80 OPRM1 (0.48) CA2RXFP1
SCHEMBL20178589 0.79 SMN1; SMN2 (0.60) MEN1KMT2AKDR
SCHEMBL20173764 0.78 CA2 (0.59) CA2MEN1KMT2AFADS1GRIN2D
SCHEMBL20173758 0.78 KAT6A (0.52) BRAF
SCHEMBL22220693 0.78 SMN1; SMN2 (0.59) CA2MEN1KMT2AFADS1LMNA
SCHEMBL20178612 0.76 CA2 (0.40) CA2MEN1KMT2AFADS1RXFP1
SCHEMBL20173765 0.75 ACHE (0.45) MEN1KMT2A
SCHEMBL14445018 0.75 MEN1 (0.63) CA2MEN1KMT2AFADS1RXFP1

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 3 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
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 CA2 2302/4885MEN1 4363/4885KMT2A 4586/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 CA2 2302/4885MEN1 4363/4885KMT2A 4586/4885

“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.