SCHEMBL20118985

SCHEMBL20118985

Cc1cccc(C(=O)NS(=O)(=O)C2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
SCN9A Q15858 5/20 0.50
SCN5A Q14524 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SCN2B O60939 2/20 0.50
SCN1B Q07699 2/20 0.50
SCN1A P35498 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNH2 Q12809 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KAT6A Q92794 1/20 0.49
CYP2C19 P33261 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL30436806 0.82 SCN2B (0.58) HDAC6NPC1RAB9ASMN1; SMN2SCN9A
SCHEMBL20178637 0.81 SMYD3 (0.55) HDAC8HDAC6SMN1; SMN2SCN9ASCN5A
SCHEMBL20173758 0.81 KAT6A (0.52) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL3808268 0.80 HDAC3 (0.50) HDAC8HDAC6NPC1RAB9ASCN9A
SCHEMBL280256 0.79 HDAC8 (0.68) HDAC8HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL20118984 0.77 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7984819 0.76 HDAC8 (0.64) HDAC8HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL31215371 0.76 SCN9A (0.46) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL31215375 0.76 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2SCN9ASCN5ASCN2B
SCHEMBL20118988 0.75 LMNA (0.50) SMN1; SMN2MEN1KMT2AALDH1A1

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
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO 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 HDAC8 1166/4885HDAC6 597/4885NPC1 89/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 HDAC8 1166/4885HDAC6 597/4885NPC1 89/4885

“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.