SCHEMBL4370841

SCHEMBL4370841

NS(=O)(=O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HSD17B10 Q99714 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.63
GAA P10253 4/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CHRNA7 P36544 1/20 0.52
MLNR O43193 2/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL2651145 0.86 ALDH1A1 (0.73) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL18118190 0.85 CHRNA7 (0.68) ALDH1A1HSD17B10SMN1; SMN2GAAMEN1
SCHEMBL18118197 0.85 CHRNA7 (0.63) ALDH1A1HSD17B10SMN1; SMN2GAAMEN1
Hydrochloric Acid SCHEMBL28787677 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL13212276 0.84 HSD17B10 (0.72) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL30048936 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL724192 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL18118192 0.84 CHRNA7 (0.66) ALDH1A1HSD17B10SMN1; SMN2GAAMEN1
SCHEMBL14101423 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
Hydrochloric Acid SCHEMBL6197947 0.83 ALDH1A1 (0.69) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD

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 12 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
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
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
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 US disclosed
EP-1960361-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007059872-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F. HOFFMNN-LA ROCHE AG (CH) 2007-05-31 WO disclosed
US-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent HOFFMANN-LA ROCHE INC. 2007-05-31 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 (7 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 ALDH1A1 2488/4885HSD17B10 273/4885SMN1; SMN2 4504/4885
US-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent TPMT, BPNT1, SLC6A3 ALDH1A1 1180/4885HSD17B10 3312/4885SMN1; SMN2 2452/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 ALDH1A1 1984/4885HSD17B10 1920/4885SMN1; SMN2 3/4885
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 ALDH1A1 2488/4885HSD17B10 273/4885SMN1; SMN2 4504/4885
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 ALDH1A1 2488/4885HSD17B10 273/4885SMN1; SMN2 4504/4885
US-20200109164-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 ALDH1A1 2488/4885HSD17B10 273/4885SMN1; SMN2 4504/4885
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 ALDH1A1 2488/4885HSD17B10 273/4885SMN1; SMN2 4504/4885

“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.