SCHEMBL944485

SCHEMBL944485

CC(C)(C)OC(=O)Nc1nc(CCO)cs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.51
SIRT1 Q96EB6 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 1/20 0.44
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SCD O00767 5/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
CCR2 P41597 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL12742401 0.89 PTPRB (0.49) PI4KBSIRT1SMN1; SMN2KMT2AAOC3
SCHEMBL1030124 0.89 PI4KB (0.50) PI4KBSIRT1SMN1; SMN2KMT2AALDH1A1
SCHEMBL2668827 0.88 SIRT1 (0.48) PI4KBSIRT1SMN1; SMN2KMT2AAOC3
SCHEMBL6495932 0.88 AOC3 (0.54) PI4KBSIRT1SMN1; SMN2KMT2AAOC3
SCHEMBL2175797 0.86 SMN1; SMN2 (0.50) PI4KBSIRT1SMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28584083 0.85 SIRT1 (0.46) PI4KBSIRT1SMN1; SMN2KMT2AAOC3
SCHEMBL16123390 0.84 SIRT1 (0.52) PI4KBSIRT1SMN1; SMN2KMT2AAOC3
SCHEMBL356279 0.84 SMN1; SMN2 (0.64) PI4KBSIRT1SMN1; SMN2KMT2AALDH1A1
SCHEMBL9071272 0.84 SIRT1 (0.49) PI4KBSIRT1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6679893 0.84 SIRT1 (0.49) PI4KBSIRT1SMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940900-B2 2,2,2-tri-substituted acetamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (US) 2015-01-27 US disclosed
US-8940900-B2 2,2,2-tri-substituted acetamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (US) 2015-01-27 US disclosed
US-8940900-B2 2,2,2-tri-substituted acetamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (US) 2015-01-27 US disclosed
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8735434-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-05-27 US disclosed
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 EP disclosed
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 EP disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP 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 (1 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 PI4KB 1625/4885SIRT1 804/4885SMN1; SMN2 1921/4885

“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.