SCHEMBL1979548

SCHEMBL1979548

CC(C)(CO)CNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
FKBP1A P62942 1/20 0.33
CNR2 P34972 1/20 0.33
NUDT1 P36639 2/20 0.33
TSHR P16473 1/20 0.32
GABRA5 P31644 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TYK2 P29597 1/20 0.31
PDE4D Q08499 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL11982016 0.89 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10CYP2D6CYP2C19ALDH1A1
SCHEMBL9682352 0.82 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10CYP2D6CYP2C19ALDH1A1
SCHEMBL11256982 0.82 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10CYP2D6CYP2C19ALDH1A1
SCHEMBL6729276 0.80 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10CYP2D6CYP2C19ALDH1A1
SCHEMBL13290400 0.80 KDM4E (0.39) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL21813306 0.80 CYP2D6 (0.37) CYP2D6CYP2C19TYK2PDE4DPTGS1
SCHEMBL6730282 0.78 ALDH1A1 (0.38) SMN1; SMN2HSD17B10CYP2D6CYP2C19ALDH1A1
SCHEMBL14472418 0.78 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL13882997 0.78 ALDH1A1 (0.38) SMN1; SMN2HSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL18630868 0.78 CYP2D6 (0.36) SMN1; SMN2CYP2D6CYP2C19ALDH1A1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4339187-A1 (HETERO)ARYLAMIDE COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2024-03-20 EP disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
WO-2022239798-A1 (HETERO)ARYLAMIDE COMPOUND AND PEST CONTROL AGENT 日本曹達株式会社 2022-11-17 WO disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 EP disclosed
US-20220000844-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2022-01-06 US disclosed
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2022-01-06 US disclosed
US-11207323-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-12-28 US disclosed
US-20130303510-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20130137680-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
EP-2509979-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071725-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20090227616-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION, A CORPORATION 2009-09-10 US disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 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 (12 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-20090227616-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 SMN1; SMN2 3299/4885HSD17B10 3705/4885CYP2D6 3974/4885
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 SMN1; SMN2 974/4885HSD17B10 1537/4885CYP2D6 859/4885
US-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 SMN1; SMN2 1246/4885HSD17B10 1067/4885CYP2D6 2096/4885
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 SMN1; SMN2 4590/4885HSD17B10 308/4885CYP2D6 1529/4885
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 SMN1; SMN2 1941/4885HSD17B10 1878/4885CYP2D6 3345/4885
US-20220000844-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN7A, SCN1A SMN1; SMN2 229/4885HSD17B10 2914/4885CYP2D6 1767/4885
US-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ SMN1; SMN2 4013/4885HSD17B10 839/4885CYP2D6 203/4885
US-11207323-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 SMN1; SMN2 1246/4885HSD17B10 1067/4885CYP2D6 2096/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 SMN1; SMN2 3299/4885HSD17B10 3705/4885CYP2D6 3974/4885
US-20130303510-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT SMN1; SMN2 334/4885HSD17B10 994/4885CYP2D6 4452/4885
US-20130137680-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE PKD1, PAH, JAK2 SMN1; SMN2 1330/4885HSD17B10 1894/4885CYP2D6 130/4885
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS KEAP1, NFE2L2, NQO1 SMN1; SMN2 4196/4885HSD17B10 645/4885CYP2D6 316/4885

“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.