SCHEMBL1426719

SCHEMBL1426719

O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.64
▸ ECE1 P42892 3/20 0.64
▸ NAALAD2 Q9Y3Q0 1/20 0.62
▸ CTSL P07711 3/20 0.58
▸ TACR1 P25103 2/20 0.58
▸ FOLH1 Q04609 1/20 0.57
▸ ACE P12821 1/20 0.57
▸ CTSB P07858 1/20 0.57
▸ CTSS P25774 1/20 0.57
▸ CTSK P43235 1/20 0.57
▸ CASP1 P29466 2/20 0.56
▸ CASP3 P42574 2/20 0.56
▸ CASP9 P55211 2/20 0.56
▸ CAPN1 P07384 1/20 0.56
▸ CASP7 P55210 1/20 0.55

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
SCHEMBL13884435 1.00 MME (0.64) MMEECE1NAALAD2CTSLTACR1
SCHEMBL13957718 1.00 MME (0.64) MMEECE1NAALAD2CTSLTACR1
SCHEMBL14433746 0.95 ECE1 (0.63) MMEECE1NAALAD2CTSLTACR1
SCHEMBL13884433 0.95 ECE1 (0.63) MMEECE1NAALAD2CTSLTACR1
SCHEMBL13589992 0.95 ECE1 (0.63) MMEECE1NAALAD2CTSLTACR1
SCHEMBL6552949 0.95 ECE1 (0.63) MMEECE1NAALAD2CTSLTACR1
SCHEMBL6552944 0.95 ECE1 (0.63) MMEECE1NAALAD2CTSLTACR1
SCHEMBL10397579 0.95 MME (0.67) MMEECE1NAALAD2CTSLTACR1
SCHEMBL9697579 0.94 MME (0.65) MMEECE1NAALAD2CTSLFOLH1
SCHEMBL14493648 0.93 MME (0.58) MMEECE1NAALAD2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688777-B2 Protein-polymer complex, TGase substrate-containing polymer, TGase substrate-containing monomer, method for producing protein-polymer complex, and method for improving protein function at solid-liquid interface or in vicinity of solid-liquid interface HITACHI, LTD. (JP) 2017-06-27 — — US disclosed
US-20160251450-A1 PROTEIN-POLYMER COMPLEX, TGase SUBSTRATE-CONTAINING POLYMER, TGase SUBSTRATE-CONTAINING MONOMER, METHOD FOR PRODUCING PROTEIN-POLYMER COMPLEX, AND METHOD FOR IMPROVING PROTEIN FUNCTION AT SOLID-LIQUID INTERFACE OR IN VICINITY OF SOLID-LIQUID INTERFACE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-09-01 — — US disclosed
US-9388454-B2 Method for producing protein-nucleic acid conjugate, and method for detecting target substance KYUSHU UNIVERSITY, NAT'L UNIVERSITY CORPORATION (JP) 2016-07-12 — — US disclosed
EP-3015474-A1 PROTEIN-POLYMER COMPLEX, TGase SUBSTRATE-CONTAINING POLYMER, TGase SUBSTRATE-CONTAINING MONOMER, METHOD FOR PRODUCING PROTEIN-POLYMER COMPLEX, AND METHOD FOR IMPROVING PROTEIN FUNCTION ON INTERFACE OR IN VICINITIY OF INTERFACE OF SOLID-LIQUID Kyushu University, National University Corporation (JP) 2016-05-04 — — EP disclosed
EP-2301946-B1 NUCLEOSIDE TRIPHOSPHATE DERIVATIVE, NUCLEIC ACID PROBE, MULTILABELED NUCLEIC ACID PROBE, METHOD FOR PRODUCTION OF MULTILABELED NUCLEIC ACID PROBE, AND METHOD FOR DETECTION OF TARGET NUCLEIC ACID UNIV KYUSHU NAT UNIV CORP (JP) 2016-01-06 — — EP disclosed
US-20150284762-A1 METHOD FOR PRODUCING PROTEIN-NUCLEIC ACID CONJUGATE, AND METHOD FOR DETECTING TARGET SUBSTANCE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-10-08 — — US disclosed
EP-2865762-A1 METHOD FOR PRODUCING PROTEIN-NUCLEIC ACID COMPLEX, AND METHOD FOR DETECTING TARGET SUBSTANCE Kyushu University, National University Corporation (JP) 2015-04-29 — — EP disclosed
US-8198418-B2 Nucleoside triphosphate derivative, nucleic acid probe, multilabeled nucleic acid probe, method for production of multilabeled nucleic acid probe, and method for detection of target nucleic acid KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2012-06-12 — — US disclosed
US-20110189671-A1 NUCLEOSIDE TRIPHOSPHATE DERIVATIVE, NUCLEIC ACID PROBE, MULTILABELED NUCLEIC ACID PROBE, METHOD FOR PRODUCTION OF MULTILABELED NUCLEIC ACID PROBE, AND METHOD FOR DETECTION OF TARGET NUCLEIC ACID KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2011-08-04 — — US disclosed
EP-2301946-A1 NUCLEOSIDE TRIPHOSPHATE DERIVATIVE, NUCLEIC ACID PROBE, MULTILABELED NUCLEIC ACID PROBE, METHOD FOR PRODUCTION OF MULTILABELED NUCLEIC ACID PROBE, AND METHOD FOR DETECTION OF TARGET NUCLEIC ACID Kyushu University, National University Corporation (JP) 2011-03-30 — — EP disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 — — US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 — — US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 — — US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 — — US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 — — US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 — — US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 — — US disclosed
US-4436925-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-03-13 — — US disclosed
US-4256836-A REACTING AN N-SUBSTITUTED MONOAMINODICARBOXYLIC ACID WITH AN AMINO CARBOXYLIC ACID ESTER TOYO SODA MANUFACTURING CO. LTD. (JP) 1981-03-17 — — US disclosed
US-4165311-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO. LTD. (JP) 1979-08-21 — — 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 (2 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-20110189671-A1 NUCLEOSIDE TRIPHOSPHATE DERIVATIVE, NUCLEIC ACID PROBE, MULTILABELED NUCLEIC ACID PROBE, METHOD FOR PRODUCTION OF MULTILABELED NUCLEIC ACID PROBE, AND METHOD FOR DETECTION OF TARGET NUCLEIC ACID DNTT, DTYMK, TYMP MME 3128/4885ECE1 3117/4885NAALAD2 310/4885
US-20160251450-A1 PROTEIN-POLYMER COMPLEX, TGase SUBSTRATE-CONTAINING POLYMER, TGase SUBSTRATE-CONTAINING MONOMER, METHOD FOR PRODUCING PROTEIN-POLYMER COMPLEX, AND METHOD FOR IMPROVING PROTEIN FUNCTION AT SOLID-LIQUID INTERFACE OR IN VICINITY OF SOLID-LIQUID INTERFACE GLUL, MAX, QPCTL MME 2611/4885ECE1 1372/4885NAALAD2 83/4885

“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.

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