SCHEMBL2960766

SCHEMBL2960766

CC(=O)OCCCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
NAAA Q02083 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HRH1 P35367 2/20 0.47
FKBP1A P62942 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL12248256 0.90 CA12 (0.59) CYP1A2SMN1; SMN2CYP2C19CA12CA1
Hydrochloric Acid SCHEMBL27540796 0.89 CA12 (0.58) CYP1A2SMN1; SMN2CYP2C19CA12CA1
SCHEMBL12506842 0.84 CA12 (0.56) CYP1A2SMN1; SMN2CYP2C19NAAACA12
SCHEMBL11036318 0.84 LMNA (0.58) CYP1A2SMN1; SMN2CYP2C19NAAACA12
SCHEMBL11534635 0.83 SMN1; SMN2 (0.55) CYP1A2SMN1; SMN2CYP2C19NAAACA12
Ethyl Acetate SCHEMBL8398014 0.81 HRH1 (0.49) CYP1A2SMN1; SMN2CYP2C19NAAACA12
SCHEMBL27486988 0.81 TDP1 (0.52) CYP1A2SMN1; SMN2CYP2C19NAAACA12
Hydrochloric Acid SCHEMBL28739904 0.80 TDP1 (0.51) CYP1A2SMN1; SMN2CYP2C19NAAACA12
Bromide SCHEMBL28739911 0.80 TDP1 (0.51) CYP1A2SMN1; SMN2CYP2C19NAAACA12
Bromide SCHEMBL27710413 0.80 TDP1 (0.51) CYP1A2SMN1; SMN2CYP2C19NAAACA12

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829201-B2 Electrolyte Formulations MERCK PATENT GMBH (DE) 2014-09-09 US disclosed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
CN-1328278-C N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2007-07-25 CN disclosed
US-6677268-B2 A METAL COMPLEXES AS HYDROFORMYLATION CATALYST OF OLEFINICALLY UNSATURATED COMPOUNDS INSTITUT FRANCAIS DU PETROLE (FR) 2004-01-13 US disclosed
US-20030055299-A1 Catalyst based on cobalt and/or rhodium employed in a two-phase medium INSTITUT FRANCAIS DU PETROLE (FR) 2003-03-20 US disclosed
US-6469216-B2 CO OR RH COMPLEX COORDINATED WITH A NITROGEN-CONTAINING LIGAND; QUATERNARY AMMONIUM OR PHOSPHONIUM IONIC SOLVENT INSTITUT FRANCAIS DU PETROLE (FR) 2002-10-22 US disclosed
US-20010039363-A1 Process for hydroformylation using a catalyst based on cobalt and/or rhodium employed in a two-phase medium INSTITUT FRANCAIS DU PETROLE (FR) 2001-11-08 US disclosed
CN-1265661-A N-acylamino acid amide compounds and intermediates for preparation thereof UBE INDUSTRIES (JP) 2000-09-06 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 (3 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 CYP1A2 2284/4885SMN1; SMN2 388/4885CYP2C19 2898/4885
US-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT CYP1A2 4508/4885SMN1; SMN2 4519/4885CYP2C19 2882/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CYP1A2 1092/4885SMN1; SMN2 2156/4885CYP2C19 1096/4885

“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.