SCHEMBL9952902

SCHEMBL9952902

CC(O)C(N)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.45
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2D6 P10635 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19858386 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL31606685 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL28179952 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL304099 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL27183262 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL304098 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
Hydrochloric Acid SCHEMBL19858050 0.98 NOS1 (0.44) NOS1NOS3NOS2LMNAKMT2A
Hydrochloric Acid SCHEMBL2409207 0.98 NOS1 (0.44) NOS1NOS3NOS2LMNAKMT2A
Hydrochloric Acid SCHEMBL1825341 0.98 NOS1 (0.44) NOS1NOS3NOS2LMNAKMT2A
Hydrochloric Acid SCHEMBL1825344 0.98 NOS1 (0.44) NOS1NOS3NOS2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414435-A Amino-substituted isothiazoles 拜耳制药股份公司 2017-02-15 CN claimed
US-12599684-B2 Molecular probes and methods of use CASE WESTERN RESERVE UNIVERSITY (US) 2026-04-14 US disclosed
US-20260035357-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCE INC (US) 2026-02-05 US disclosed
US-12404262-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2025-09-02 US disclosed
CN-119060329-B Enzyme response polyamino acid, self-adaptive bionic mechanical gradient hydrogel and preparation method and application thereof 中国科学院长春应用化学研究所 2025-03-07 CN disclosed
US-20240399776-A1 COLOR DEVELOPER, THERMAL RECORDING MATERIAL, AND THERMAL RECORDING LAYER COATING MATERIAL SANKO CO., LTD. (JP) 2024-12-05 US disclosed
CN-119060329-A Enzyme response polyamino acid, self-adaptive bionic mechanical gradient hydrogel and preparation method and application thereof 中国科学院长春应用化学研究所 2024-12-03 CN disclosed
EP-4440701-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2024-10-09 EP disclosed
US-20240293553-A1 P-SELECTIN INHIBITORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2024-09-05 US disclosed
WO-2024168123-A1 SYNTHESIS OF CORE 2 O-SIALYL LEWIS-X POLYSACCHARIDES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2024-08-15 WO disclosed
WO-2012088282-A1 MULTI-ARM POLYMERIC PRODRUG CONJUGATES OF PEMETREXED-BASED COMPOUNDS NEKTAR THERAPEUTICS (US) 2012-06-28 WO disclosed
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
CN-1875102-B Novel plasmid and use thereof DAIICHI FINE CHEM CO LTD 2011-03-23 CN disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 US disclosed
CN-1875102-A Novel plasmid and use thereof DAIICHI FINE CHEM CO LTD (JP) 2006-12-06 CN disclosed
CN-1168673-A New dipeptide p-amidinobenzylamides with N-terminal sulfonyl or aminosulfonyl radicals BASF AG (DE) 1997-12-24 CN disclosed
CN-1041757-A The single stage method of tert-butyl threonine is synthetic UNIV JILIN (CN) 1990-05-02 CN disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
US-4343898-A Process for preparing esters of human insulin NOVO INDUSTRI A/S (DK) 1982-08-10 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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 NOS1 523/4885NOS3 52/4885NOS2 431/4885
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F NOS1 1710/4885NOS3 3315/4885NOS2 2577/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B NOS1 1685/4885NOS3 3284/4885NOS2 2960/4885
US-12404262-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 NOS1 2449/4885NOS3 1219/4885NOS2 1844/4885
US-20240293553-A1 P-SELECTIN INHIBITORS AND USES THEREOF SELP, SELPLG, SELE NOS1 1497/4885NOS3 1400/4885NOS2 1474/4885
US-20260035357-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CCR10, CCR1, CCR3 NOS1 1238/4885NOS3 539/4885NOS2 2648/4885
US-12599684-B2 Molecular probes and methods of use TFRC, FGB, SSTR3 NOS1 1161/4885NOS3 263/4885NOS2 874/4885

“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.