SCHEMBL9869824

SCHEMBL9869824

NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.72
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
LMNA P02545 1/20 0.71
MPO P05164 1/20 0.71
MAPT P10636 1/20 0.71
TSHR P16473 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
KMT2A Q03164 1/20 0.71
HIF1A Q16665 1/20 0.71
ECE1 P42892 7/20 0.67
ALOX15 P16050 1/20 0.67
ERAP2 Q6P179 1/20 0.64

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
SCHEMBL11855463 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL3359705 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL14595067 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL9596897 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL9596908 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL29701966 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL5612810 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL5583839 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL30862445 0.98 ACE (0.69) ACEKDM4EMEN1LMNAMPO
SCHEMBL9868128 0.98 ACE (0.69) ACEKDM4EMEN1LMNAMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101747411-B Aminoacyl tryptophyl tryptophan tripeptide benzyl ester as well as preparation method and application thereof UNIV BEIJING 2012-07-25 CN claimed
CN-101747411-A Aminoacyl tryptophyl tryptophan tripeptide benzyl ester as well as preparation method and application thereof UNIV BEIJING 2010-06-23 CN claimed
US-20230225332-A1 COMPOSITIONS COMPRISING AROMATIC DIPEPTIDES-BASED STRUCTURES ENCAPSULATING AN ESTERASE AND USES THEREOF MIGAL GALILEE RES INSTITUTE LTD (IL) 2023-07-20 US disclosed
EP-4167745-A1 COMPOSITIONS COMPRISING AROMATIC DIPEPTIDES-BASED STRUCTURES ENCAPSULATING AN ESTERASE AND USES THEREOF Migal Galilee Research Institute Ltd. (IL) 2023-04-26 EP disclosed
CN-102477068-B Amino acid derivative for preparing thrombus dissolving medicament, and preparation method and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-07-24 CN disclosed
CN-101747411-B Aminoacyl tryptophyl tryptophan tripeptide benzyl ester as well as preparation method and application thereof UNIV BEIJING 2012-07-25 CN disclosed
CN-101747411-B Aminoacyl tryptophyl tryptophan tripeptide benzyl ester as well as preparation method and application thereof UNIV BEIJING 2012-07-25 CN disclosed
CN-101747411-B Aminoacyl tryptophyl tryptophan tripeptide benzyl ester as well as preparation method and application thereof UNIV BEIJING 2012-07-25 CN disclosed
CN-102477068-A Amino acid derivative for preparing thrombus dissolving medicament, and preparation method and application thereof UNIV CAPITAL MEDICAL 2012-05-30 CN disclosed
CN-101747411-A Aminoacyl tryptophyl tryptophan tripeptide benzyl ester as well as preparation method and application thereof UNIV BEIJING 2010-06-23 CN disclosed
CN-101747411-A Aminoacyl tryptophyl tryptophan tripeptide benzyl ester as well as preparation method and application thereof UNIV BEIJING 2010-06-23 CN disclosed
CN-101747411-A Aminoacyl tryptophyl tryptophan tripeptide benzyl ester as well as preparation method and application thereof UNIV BEIJING 2010-06-23 CN disclosed
US-7405238-B2 Pharmacological inducement of the fed mode for enhanced drug administration to the stomach DEPOMED INC. (US) 2008-07-29 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
EP-0234186-B1 USE OF OLIGOPEPTIDS FOR THE TREATMENT OF CEREBRAL DISORDERS Fresenius AG (DE) 1991-11-06 EP disclosed
EP-0234186-A1 Use of oligopeptids for the treatment of cerebral disorders Fresenius AG (DE) 1987-09-02 EP disclosed
US-4051025-A Preparative countercurrent chromatography with a slowly rotating helical tube array THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1977-09-27 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 (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-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM ACE 2086/4885KDM4E 3502/4885MEN1 4065/4885

“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.