SCHEMBL78923

SCHEMBL78923

CC[C@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
LTA4H P09960 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
SLC7A5 Q01650 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DGAT1 O75907 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL1952044 1.00 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC1A3
SCHEMBL30458009 1.00 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC1A3
SCHEMBL78924 1.00 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC1A3
Hydrochloric Acid SCHEMBL311371 0.98 NOS1 (0.37) NOS1NOS3NOS2LTA4HSLC1A3
Hydrochloric Acid SCHEMBL78220 0.98 NOS1 (0.37) NOS1NOS3NOS2LTA4HSLC1A3
Hydrochloric Acid SCHEMBL1951786 0.98 NOS1 (0.37) NOS1NOS3NOS2LTA4HSLC1A3
Acetic Acid SCHEMBL5167209 0.94 SLC7A5 (0.38) NOS1NOS3NOS2LTA4HSLC1A3
SCHEMBL569252 0.84 NOS1 (0.39) NOS1NOS3NOS2LTA4HSLC1A3
SCHEMBL3294154 0.84 NOS1 (0.42) NOS1NOS3NOS2LTA4HSLC1A3
SCHEMBL20503360 0.84 DGAT1 (0.32) NOS1NOS3NOS2SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024184924-A1 \"AN IMPROVED PROCESS FOR THE PREPARATION OF ODEVIXIBAT AND ITS CRYSTALLINE FORMS\ RK PHARMA INC (US) 2024-09-12 WO disclosed
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease PFIZER INC. (US) 2024-04-18 US disclosed
EP-4308550-A1 CHIRAL TACN/NOTA COMPOUNDS/DERIVATIVES WITH AND WITHOUT METALS FOR APPLICATION The Hong Kong Polytechnic University (CN) 2024-01-24 EP disclosed
CN-117043145-A Metal-containing and metal-free chiral TACN/NOTA compounds/derivatives for administration 香港理工大学 2023-11-10 CN disclosed
EP-4263538-A1 PYRIDO[2,3-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TEATMENT OF SKIN DISEASE Pfizer Inc. (US) 2023-10-25 EP disclosed
WO-2022194298-A1 Chiral TACN/NOTA compounds/derivatives with and without metals for application THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-09-22 WO disclosed
WO-2022130175-A1 PYRIDO[2,3-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TEATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 WO disclosed
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
EP-1521742-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM AstraZeneca AB (SE) 2005-04-13 EP disclosed
CN-1582151-A Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (IBAT) inhibitory activity for the treatment hyperlipidaemia ASTRAZENECA AB (SE) 2005-02-16 CN disclosed
US-20040072850-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-04-15 US disclosed
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2004002961-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-08 WO disclosed
US-20030232846-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
CN-1420872-A Caspase inhibitors and uses thereof VERTEX PHARMA (US) 2003-05-28 CN disclosed
EP-1244626-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2002-10-02 EP disclosed
WO-2001042216-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-06-14 WO disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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-20040072850-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP2 NOS1 443/4885NOS3 671/4885NOS2 733/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A NOS1 209/4885NOS3 247/4885NOS2 233/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A NOS1 209/4885NOS3 247/4885NOS2 233/4885
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease ITK, PDXK, HRH4 NOS1 855/4885NOS3 896/4885NOS2 463/4885
US-20030232846-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP2 NOS1 294/4885NOS3 228/4885NOS2 829/4885

“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.