SCHEMBL6234020

SCHEMBL6234020

NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.58
CA2 P00918 7/20 0.58
CA12 O43570 6/20 0.58
CA9 Q16790 6/20 0.58
KIF11 P52732 9/20 0.54
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
P2RY14 Q15391 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
GCK P35557 1/20 0.44
GCKR Q14397 1/20 0.44

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
SCHEMBL18118193 0.83 CA1 (0.58) CA1CA2CA12CA9NPC1
SCHEMBL3253299 0.83 KIF11 (0.42) CA1CA2CA12CA9KIF11
SCHEMBL5726849 0.83 GCK (0.44) CA1CA2CA12CA9KIF11
SCHEMBL7347511 0.83 KIF11 (0.42) CA1CA2CA12CA9KIF11
SCHEMBL14569177 0.83 KIF11 (0.46) CA1CA2CA12CA9KIF11
SCHEMBL7055780 0.82 GCK (0.43) CA1CA2CA12CA9KIF11
SCHEMBL7055779 0.82 KIF11 (0.45) CA1CA2CA12CA9KIF11
SCHEMBL18118201 0.81 CA1 (0.56) CA1CA2CA12CA9NPC1
SCHEMBL3563618 0.81 CA12 (0.47) CA1CA2CA12CA9NPC1
SCHEMBL3559908 0.81 CA12 (0.50) CA1CA2CA12CA9KIF11

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2022-12-22 US disclosed
US-11040998-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
EP-3277286-B1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2021-04-21 EP disclosed
US-20200109164-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2020-04-09 US disclosed
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-29 US disclosed
WO-2016161003-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHAMRACEUTICALS, INC. (US) 2016-10-06 WO disclosed
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-10-06 US disclosed
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-10-06 US disclosed
WO-2009096198-A1 NOVEL BIARYL DERIVATIVE PHARMA IP LIMITED LIABILITY INTERMEDIARY CORPORATIONS (JP) 2009-08-06 WO disclosed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 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 (5 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-11040998-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA1 1773/4885CA2 1361/4885CA12 2446/4885
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA1 1773/4885CA2 1361/4885CA12 2446/4885
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA1 1773/4885CA2 1361/4885CA12 2446/4885
US-20200109164-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA1 1773/4885CA2 1361/4885CA12 2446/4885
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA1 1773/4885CA2 1361/4885CA12 2446/4885

“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.