SCHEMBL1068034

SCHEMBL1068034

NC(Cc1ccc2oc(-c3ccccc3)nc2c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.61
PTPRB P23467 1/20 0.61
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
BRCA1 P38398 1/20 0.55
HIF1A Q16665 1/20 0.55
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
KDM4E B2RXH2 6/20 0.54
POLB P06746 3/20 0.54
HPSE Q9Y251 3/20 0.53
PKM P14618 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HPGD P15428 4/20 0.50
CASP3 P42574 3/20 0.50
SENP7 Q9BQF6 3/20 0.50
SENP6 Q9GZR1 3/20 0.50
SENP8 Q96LD8 2/20 0.50

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
SCHEMBL1068031 1.00 PTPRA (0.61) PTPRAPTPRBALDH1A1CYP1A2CYP3A4
SCHEMBL16971289 0.84 PTPRA (0.55) PTPRAPTPRBALDH1A1CYP1A2CYP3A4
SCHEMBL16971288 0.84 PTPRA (0.55) PTPRAPTPRBALDH1A1CYP1A2CYP3A4
SCHEMBL7420912 0.83 ITGB1 (0.68) PTPRAPTPRBALDH1A1CYP1A2CYP3A4
SCHEMBL7420913 0.83 ITGB1 (0.68) PTPRAPTPRBALDH1A1CYP1A2CYP3A4
SCHEMBL2307975 0.81 PTPRA (0.58) PTPRAPTPRBALDH1A1CYP1A2CYP3A4
SCHEMBL507169 0.80 KDM4E (0.77) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22455572 0.80 SMN1; SMN2 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14338225 0.78 SMN1; SMN2 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10227852 0.78 SMN1; SMN2 (0.68) ALDH1A1CYP1A2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170370916-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESCENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-12-28 US disclosed
US-20150369800-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-24 US disclosed
US-8940506-B2 High-sensitive fluorescent energy transfer assay using fluoresent amino acids and fluorescent proteins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-27 US disclosed
US-20110117556-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US disclosed
EP-2271662-A2 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS The Regents Of The University Of California (US) 2011-01-12 EP disclosed
WO-2009117726-A2 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-24 WO disclosed
US-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained INSERM (INSTITUT NATIONAL DE LA SANT'E ET DE LA RECHERCHE MEDICALE (FR) 2007-07-12 US disclosed
EP-1711483-A2 A METHOD FOR MANUFACTURING OPTICALLY PURE COUMARYL AMINO ACID SALTS AND THE COUMARYL AMINO ACID SALTS THUS OBTAINED INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-10-18 EP disclosed
WO-2005075448-A2 A METHOD FOR MANUFACTURING OPTICALLY PURE COUMARYL AMINO ACIDS SALTS AND THE COUMARYL AMINO ACID SALTS THUS OBTAINED INSTITUT NATIONAL DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-08-18 WO disclosed
EP-1559712-A1 A method for manufacturing optically active coumaryl amino acid salts and the coumaryl aminoacid salts thus obtained INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-08-03 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 (4 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-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained CRYAA, BCAT2, BCAT1 PTPRA 3082/4885PTPRB 3029/4885ALDH1A1 874/4885
US-20110117556-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS SLC7A1, SARS1, GFPT1 PTPRA 2520/4885PTPRB 2280/4885ALDH1A1 4338/4885
US-20150369800-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS GFPT1, PHAX, TARBP1 PTPRA 2396/4885PTPRB 2091/4885ALDH1A1 4301/4885
US-20170370916-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESCENT PROTEINS ACP1, BCAT1, SARS1 PTPRA 2113/4885PTPRB 2135/4885ALDH1A1 4094/4885

“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.