SCHEMBL78924

SCHEMBL78924

CCC(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
SCHEMBL78923 1.00 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC1A3
SCHEMBL30458009 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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230194983-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2023-06-22 US disclosed
CN-115989235-A Methods of treating respiratory diseases using amino acid compounds 普利安特治疗公司 2023-04-18 CN disclosed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN disclosed
US-10669280-B2 Coelenterazine analogues PROMEGA CORPORATION (US) 2020-06-02 US disclosed
US-10428075-B2 Coelenterazine analogues PROMEGA CORPORATION (US) 2019-10-01 US disclosed
CN-110099682-A Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2019-08-06 CN disclosed
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
US-10138236-B2 Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3197891-B1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES Bayer Pharma AG (DE) 2018-11-21 EP disclosed
CN-108290879-A Heteroaryl compound and application thereof as IRAK inhibitor 默克专利有限公司 2018-07-17 CN disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
WO-2002100886-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1244626-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2002-10-02 EP disclosed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
WO-2001042216-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-06-14 WO disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
EP-0804468-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD (IL) 1997-11-05 EP disclosed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 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 (6 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-10669280-B2 Coelenterazine analogues GLB1, SI, TCF7L2 NOS1 4409/4885NOS3 3823/4885NOS2 3945/4885
US-10138236-B2 Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives F13B, TFPI, TFPI2 NOS1 4230/4885NOS3 3143/4885NOS2 4085/4885
US-10428075-B2 Coelenterazine analogues GLB1, SI, TCF7L2 NOS1 4409/4885NOS3 3823/4885NOS2 3945/4885
US-20230194983-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE RER1, TERB1, TRRAP NOS1 3803/4885NOS3 4177/4885NOS2 4269/4885
US-20020198376-A1 Novel urea derivatives TNF, CTH, CFH NOS1 126/4885NOS3 77/4885NOS2 150/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 NOS1 3193/4885NOS3 1394/4885NOS2 3787/4885

“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.