SCHEMBL918772

SCHEMBL918772

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
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
SLC7A5 Q01650 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KIF11 P52732 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30

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
Hydrochloric Acid SCHEMBL7289358 0.98 NOS1 (0.42) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL1817108 0.88 NOS1 (0.40) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL27021244 0.88 NOS1 (0.40) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL27021235 0.88 NOS1 (0.40) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL1817104 0.88 NOS1 (0.40) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL1274850 0.88 NOS1 (0.40) NOS1NOS3NOS2LTA4HCYP1A2
Hydrochloric Acid SCHEMBL23510221 0.86 NOS1 (0.39) NOS1NOS3NOS2LTA4HCYP1A2
Hydrochloric Acid SCHEMBL16798190 0.86 NOS1 (0.39) NOS1NOS3NOS2LTA4HCYP1A2
Hydrochloric Acid SCHEMBL15608414 0.86 NOS1 (0.39) NOS1NOS3NOS2LTA4HCYP1A2
SCHEMBL7330937 0.85 NOS1 (0.36) NOS1NOS3NOS2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427423-B9 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2017-12-20 EP disclosed
US-9365506-B2 Compounds and compositions as TLR2 agonists NOVARTIS AG (CH) 2016-06-14 US disclosed
US-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS IRM LLC (BM) 2014-10-30 US disclosed
US-8808703-B2 Compounds (cystein based lipopeptides) and compositions as TLR2 agonists used for treating infections, inflammations, respiratory diseases etc NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-08-19 US disclosed
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-03-14 US disclosed
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 US disclosed
EP-1699759-B1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-10-20 EP disclosed
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 US disclosed
EP-1345918-B1 1,5 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia ALBIREO AB (SE) 2005-02-17 US 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
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP disclosed
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 WO disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed
US-5442044-A Hypotensive agents PFIZER INC. (US) 1995-08-15 US disclosed
EP-0661292-A1 Orally active renin inhibitors PFIZER INC. (US) 1995-07-05 EP disclosed
EP-0438233-A2 Orally active renin inhibitors PFIZER INC. (US) 1991-07-24 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 (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-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS TLR2, TLR1, TLR3 NOS1 3040/4885NOS3 2880/4885NOS2 2110/4885
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. TLR2, TLR4, TLR3 NOS1 2779/4885NOS3 1806/4885NOS2 1970/4885
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 NOS1 2918/4885NOS3 3768/4885NOS2 2946/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 NOS1 2918/4885NOS3 3768/4885NOS2 2946/4885
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia SLC10A2, SLC10A1, ABCB11 NOS1 2611/4885NOS3 1991/4885NOS2 2166/4885

“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.