SCHEMBL4357736

SCHEMBL4357736

O=C(NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.68
PTPN1 P18031 2/20 0.68
CTSL P07711 5/20 0.66
CTSS P25774 3/20 0.66
CTSK P43235 3/20 0.66
CA2 P00918 2/20 0.64
CA1 P00915 1/20 0.64
MME P08473 1/20 0.63
PSMB5 P28074 2/20 0.62
GPR132 Q9UNW8 1/20 0.60
CTSB P07858 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL4356229 1.00 ACE (0.68) ACEPTPN1CTSLCTSSCTSK
SCHEMBL528464 0.94 ACE (0.76) ACEPTPN1CTSLCTSSCTSK
SCHEMBL111236 0.94 ACE (0.76) ACEPTPN1CTSLCTSSCTSK
SCHEMBL111235 0.94 ACE (0.76) ACEPTPN1CTSLCTSSCTSK
SCHEMBL11582248 0.93 CTSL (0.67) ACEPTPN1CTSLCTSSCTSK
SCHEMBL4360734 0.93 CTSL (0.67) ACEPTPN1CTSLCTSSCTSK
SCHEMBL4369236 0.93 CTSL (0.67) ACEPTPN1CTSLCTSSCTSK
SCHEMBL13669589 0.93 CTSL (0.67) ACEPTPN1CTSLCTSSCTSK
SCHEMBL28760302 0.93 CTSL (0.67) ACEPTPN1CTSLCTSSCTSK
Hydrochloric Acid SCHEMBL10622640 0.92 ACE (0.74) ACEPTPN1CTSLCTSSCTSK

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
CN-102466659-A Method for detecting N- (N-benzoyl-phenylalanyl) -phenylalanine dipeptide derivative TIANJIN INST PHARM RESEARCH 2012-05-23 CN claimed
CN-100480234-C N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and preparing method and use thereof KEY LAB OF CHEMISTRY FOR NATUR (CN) 2009-04-22 CN claimed
CN-1935779-A N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and its preparing method and use NATURAL PRODUCT CHEMISTRY KEY (CN) 2007-03-28 CN claimed
CN-111909051-B N- [ 4-phenyl-3- (benzoylamino) -1, 1-trifluoro-butyl-2-yl ] -phenylalaninol derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2022-12-27 CN disclosed
CN-111909051-A N- [ 4-phenyl-3- (benzoylamino) -1,1, 1-trifluoro-butyl-2-yl ] -phenylalaninol derivative and preparation method and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2020-11-10 CN disclosed
US-9023809-B2 Phenylalanine dipeptide derivatives, compositions and use thereof THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) 2015-05-05 US disclosed
CN-102466659-A Method for detecting N- (N-benzoyl-phenylalanyl) -phenylalanine dipeptide derivative TIANJIN INST PHARM RESEARCH 2012-05-23 CN disclosed
CN-102466659-A Method for detecting N- (N-benzoyl-phenylalanyl) -phenylalanine dipeptide derivative TIANJIN INST PHARM RESEARCH 2012-05-23 CN disclosed
CN-102466659-A Method for detecting N- (N-benzoyl-phenylalanyl) -phenylalanine dipeptide derivative TIANJIN INST PHARM RESEARCH 2012-05-23 CN disclosed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US disclosed
CN-100480234-C N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and preparing method and use thereof KEY LAB OF CHEMISTRY FOR NATUR (CN) 2009-04-22 CN disclosed
CN-100480234-C N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and preparing method and use thereof KEY LAB OF CHEMISTRY FOR NATUR (CN) 2009-04-22 CN disclosed
CN-100480234-C N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and preparing method and use thereof KEY LAB OF CHEMISTRY FOR NATUR (CN) 2009-04-22 CN disclosed
CN-1935779-A N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and its preparing method and use NATURAL PRODUCT CHEMISTRY KEY (CN) 2007-03-28 CN disclosed
CN-1935779-A N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and its preparing method and use NATURAL PRODUCT CHEMISTRY KEY (CN) 2007-03-28 CN disclosed
CN-1935779-A N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and its preparing method and use NATURAL PRODUCT CHEMISTRY KEY (CN) 2007-03-28 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 (1 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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP ACE 75/4885PTPN1 1817/4885CTSL 591/4885

“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.