SCHEMBL650629

SCHEMBL650629

CCOP(=O)(OCC)C(O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL426906 0.80 CYP3A4 (0.43) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17937995 0.79 POLB (0.46) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4050 0.77 POLB (0.44) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2646513 0.76 POLB (0.43) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8800000 0.76 POLB (0.43) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL262483 0.76 POLB (0.43) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10400040 0.76 POLB (0.43) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11801523 0.76 POLB (0.43) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13797901 0.76 CYP3A4 (0.47) POLBCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3904945 0.75 POLB (0.50) POLBCYP3A4CYP2C9CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084634-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-27 US claimed
US-20100152439-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-17 US claimed
EP-2057142-A2 METHOD FOR THE PREPARATION OF N-PIPERIDINYL-BENZODIAZEPINES HAVING CGRP-ANTAGONISTIC ACTIVITY Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP claimed
WO-2008022962-A2 METHOD FOR PRODUCING N-PIPERIDINYL-BENZODIAZEPINES HAVING CGRP-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO claimed
US-20080045705-A1 Production Method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US claimed
US-20170271091-A1 NON-AQUEOUS ELECTROLYTE, POWER STORAGE DEVICE USING SAME, AND LITHIUM SALT USED FOR SAME UBE INDUSTRIES, LTD. (JP) 2017-09-21 US disclosed
EP-3145019-A1 NON-AQUEOUS ELECTROLYTE, POWER STORAGE DEVICE USING SAME, AND LITHIUM SALT USED FOR SAME UBE Industries, Ltd. (JP) 2017-03-22 EP disclosed
US-8119797-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-21 US disclosed
US-8119797-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-21 US disclosed
US-8119797-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-21 US disclosed
US-8084634-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-27 US disclosed
US-8084634-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-27 US disclosed
US-7696346-B2 2-oxoethyl(1R)-4-(1,2,4,5-tetrahydro-2-oxo-3H-1,3-benzodiazepin-3-yl)-1-[[3,5-dimethyl-4-(phenylmethoxy)phenyl]methyl]-2-[4-(4-morpholinyl)-1-piperidinyl]-1-piperidinecarboxylate; coupling alpha -hydroxy-3,5-dimethyl-4-(phenylmethoxy)-phenylpropionic acid-monosodium salt with 1,3-benzodiazepin compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-7696346-B2 2-oxoethyl(1R)-4-(1,2,4,5-tetrahydro-2-oxo-3H-1,3-benzodiazepin-3-yl)-1-[[3,5-dimethyl-4-(phenylmethoxy)phenyl]methyl]-2-[4-(4-morpholinyl)-1-piperidinyl]-1-piperidinecarboxylate; coupling alpha -hydroxy-3,5-dimethyl-4-(phenylmethoxy)-phenylpropionic acid-monosodium salt with 1,3-benzodiazepin compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
EP-2057142-A2 METHOD FOR THE PREPARATION OF N-PIPERIDINYL-BENZODIAZEPINES HAVING CGRP-ANTAGONISTIC ACTIVITY Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
WO-2008022962-A2 METHOD FOR PRODUCING N-PIPERIDINYL-BENZODIAZEPINES HAVING CGRP-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008022962-A2 METHOD FOR PRODUCING N-PIPERIDINYL-BENZODIAZEPINES HAVING CGRP-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-20080045705-A1 Production Method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045705-A1 Production Method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045705-A1 Production Method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (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-20080045705-A1 Production Method CYP2F1, CYP7A1, CYP1A1 POLB 3971/4885CYP3A4 28/4885CYP2C9 18/4885
US-20170271091-A1 NON-AQUEOUS ELECTROLYTE, POWER STORAGE DEVICE USING SAME, AND LITHIUM SALT USED FOR SAME HADH, GCDH, DHODH POLB 576/4885CYP3A4 4215/4885CYP2C9 3250/4885
US-20100152439-A1 PRODUCTION METHOD CYP2F1, CYP7A1, CYP1A1 POLB 3971/4885CYP3A4 28/4885CYP2C9 18/4885

“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.