SCHEMBL1817108

SCHEMBL1817108

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
LTA4H P09960 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC7A5 Q01650 1/20 0.33
PRKCA P17252 1/20 0.32
KIF11 P52732 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 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
SCHEMBL1817104 1.00 NOS1 (0.40) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL1274850 1.00 NOS1 (0.40) NOS1NOS3NOS2LTA4HCYP1A2
Hydrochloric Acid SCHEMBL23510221 0.98 NOS1 (0.39) NOS1NOS3NOS2LTA4HCYP1A2
Hydrochloric Acid SCHEMBL15608414 0.98 NOS1 (0.39) NOS1NOS3NOS2LTA4HCYP1A2
Hydrochloric Acid SCHEMBL16798190 0.98 NOS1 (0.39) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL16798263 0.93 KIF11 (0.41) NOS1NOS3NOS2CYP2C19SLC7A5
SCHEMBL15201168 0.93 KIF11 (0.41) NOS1NOS3NOS2CYP2C19SLC7A5
SCHEMBL13640174 0.93 NOS1 (0.36) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL14227057 0.93 NOS1 (0.36) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL8975399 0.93 KIF11 (0.41) NOS1NOS3NOS2CYP2C19SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002393-A1 COMPOSITIONS AND METHODS FOR ANTIBODY PRODUCTION IMMUNOGEN, INC. (US) 2017-01-05 US claimed
EP-3077522-A1 COMPOSITIONS AND METHODS FOR ANTIBODY PRODUCTION Immunogen, Inc. (US) 2016-10-12 EP claimed
WO-2015085003-A1 COMPOSITIONS AND METHODS FOR ANTIBODY PRODUCTION IMMUNOGEN, INC. (US) 2015-06-11 WO claimed
US-8450089-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2013-05-28 US claimed
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
CN-120115098-A Method for producing polyamide microcapsules 弗门尼舍有限公司 2025-06-10 CN disclosed
CN-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 CN disclosed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 US disclosed
US-11945862-B2 Compositions and methods for antibody production IMMUNOGEN, INC. (US) 2024-04-02 US disclosed
EP-4143160-B1 PROCESS OF MAKING N,N'-DIACETYL-L-CYSTINE UNILEVER IP HOLDINGS B V (NL) 2023-11-01 EP disclosed
EP-4213883-A1 OLIGONUCLEOTIDES CONJUGATED TO FATTY ACIDS Astrazeneca AB (SE) 2023-07-26 EP disclosed
WO-2005021024-A1 AMINO ACID DERIVED PRODRUGS OF PROPOFOL, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-03-10 WO disclosed
US-20050004381-A1 Amino acid derived prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2005-01-06 US disclosed
US-20030203896-A1 Novel guanidino derivatives as inhibitors of cell adhesion SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-30 US disclosed
EP-1313737-A1 NOVEL GUANIDINO DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP disclosed
WO-2002010168-A1 NOVEL GUANIDINO DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-07 WO disclosed
EP-1176145-A1 Novel guanidino derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2002-01-30 EP disclosed
US-5700910-A REDUCTION; REACTION WITH AN EPOXY COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-23 US disclosed
US-5661129-A CONSISTS OF CYSTINE, HOMOCYSTINE OR PENICILLAMINE DISULFIDES SCHWARZ PHARMA AG (DE) 1997-08-26 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 (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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 NOS1 1182/4885NOS3 1108/4885NOS2 1395/4885
US-11945862-B2 Compositions and methods for antibody production TXNRD1, P4HB, CYBB NOS1 668/4885NOS3 738/4885NOS2 622/4885
US-20030203896-A1 Novel guanidino derivatives as inhibitors of cell adhesion ADGRF1, VCAM1, ADGRE5 NOS1 475/4885NOS3 551/4885NOS2 721/4885
US-20050004381-A1 Amino acid derived prodrugs of propofol, compositions and uses thereof SLC1A1, SLC1A5, SLC1A2 NOS1 965/4885NOS3 381/4885NOS2 522/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 NOS1 1182/4885NOS3 1108/4885NOS2 1395/4885
US-20170002393-A1 COMPOSITIONS AND METHODS FOR ANTIBODY PRODUCTION TXNRD1, P4HB, CYBB NOS1 668/4885NOS3 738/4885NOS2 622/4885

“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.