SCHEMBL728052

SCHEMBL728052

N[C@@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.69
▸ KDM4E B2RXH2 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ MPO P05164 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ BLM P54132 1/20 0.68
▸ PMP22 Q01453 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ HIF1A Q16665 1/20 0.68
▸ ERAP2 Q6P179 2/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ ITGB2 P05107 5/20 0.62
▸ ICAM1 P05362 5/20 0.62
▸ ITGAL P20701 5/20 0.62
▸ LTA4H P09960 1/20 0.61
▸ ECE1 P42892 1/20 0.61
▸ P2RY14 Q15391 1/20 0.61
▸ TP53 P04637 1/20 0.61

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
SCHEMBL27678972 1.00 ACE (0.69) ACEKDM4EMEN1LMNAMPO
SCHEMBL8529176 1.00 ACE (0.69) ACEKDM4EMEN1LMNAMPO
SCHEMBL1782890 1.00 ACE (0.69) ACEKDM4EMEN1LMNAMPO
SCHEMBL16855056 0.89 KDM4E (0.60) ACEKDM4EMEN1LMNAMPO
SCHEMBL16855202 0.89 KDM4E (0.60) ACEKDM4EMEN1LMNAMPO
Golotimod SCHEMBL12818886 0.88 KDM4E (0.65) ACEKDM4EMEN1LMNAMPO
Golotimod SCHEMBL726938 0.88 KDM4E (0.65) ACEKDM4EMEN1LMNAMPO
Orilotimod SCHEMBL29379690 0.88 KDM4E (0.65) ACEKDM4EMEN1LMNAMPO
Golotimod SCHEMBL726291 0.88 KDM4E (0.65) ACEKDM4EMEN1LMNAMPO
Golotimod SCHEMBL29622906 0.88 KDM4E (0.65) 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4837251-B2 — — 2011-12-14 — — JP claimed
EP-1042286-B1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS LLC (US) 2010-08-25 — — EP claimed
EP-1814566-B1 TREATMENT OR PREVENTION OF HEMORRHAGIC VIRAL INFECTIONS WITH IMMUNOMODULATOR COMPOUNDS SCICLONE PHARMACEUTICALS INC (US) 2010-07-28 — — EP claimed
EP-2078525-A2 Treatment of tuberculosis using immunomodulator compounds SciClone Pharmaceuticals, Inc. (US) 2009-07-15 — — EP claimed
US-7173013-B2 Treatment of tuberculosis using immunomodulator compounds SCICLONE PHARMACEUTICALS, INC. (US) 2007-02-06 — — US claimed
EP-1420808-A4 TREATMENT OF TUBERCULOSIS USING IMMUNOMODULATOR COMPOUNDS SCICLONE PHARMACEUTICALS INC (US) 2006-06-07 — — EP claimed
US-20040259806-A1 Treatment of tuberculosis using immunomodulator compounds SCICLONE PHARMACEUTICALS, INC. 2004-12-23 — — US claimed
JP-2004537579-A — — 2004-12-16 — — JP claimed
CN-1155571-C Gamma-glutamyl and beta-aspartyl containing immunomodulator compounds and methods of making the same ������������ҩ�������ι�˾ 2004-06-30 — — CN claimed
EP-1420808-A1 TREATMENT OF TUBERCULOSIS USING IMMUNOMODULATOR COMPOUNDS Sciclone Pharmaceuticals, Inc. (US) 2004-05-26 — — EP claimed
WO-2003013572-A1 TREATMENT OF TUBERCULOSIS USING IMMUNOMODULATOR COMPOUNDS SCICLONE PHARMACEUTICALS, INC. (US) 2003-02-20 — — WO claimed
CN-1284943-A Gamma-glutamyl and beta-aspartyl containing immunomodulator compounds and methods of making the same WEI EDWARD T (US) 2001-02-21 — — CN claimed
US-5916878-A DIPEPTIDE OF EITHER GAMMA-GLUTAMYL-L-TRYPTOPHAN OR BETA-ASPARTYL-L-TRYPTOPHAN; ADMINISTERING TO THE PATIENTS TO REDUCE THE RISKS INFECTIONS FROM MICROORGANISM Wei, Edward T. (US) 1999-06-29 — — US claimed
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 — — EP disclosed
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 — — US disclosed
US-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2016-11-17 — — US disclosed
CN-1284943-A Gamma-glutamyl and beta-aspartyl containing immunomodulator compounds and methods of making the same WEI EDWARD T (US) 2001-02-21 — — CN disclosed
EP-1042286-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH Wei, Edward T. (US) 2000-10-11 — — EP disclosed
WO-1999033799-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH WEI EDWARD T (US) 1999-07-08 — — WO disclosed
US-5916878-A DIPEPTIDE OF EITHER GAMMA-GLUTAMYL-L-TRYPTOPHAN OR BETA-ASPARTYL-L-TRYPTOPHAN; ADMINISTERING TO THE PATIENTS TO REDUCE THE RISKS INFECTIONS FROM MICROORGANISM Wei, Edward T. (US) 1999-06-29 — — 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-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS SERPINB1, ELANE, XPNPEP1 ACE 69/4885KDM4E 4822/4885MEN1 2797/4885
US-20040259806-A1 Treatment of tuberculosis using immunomodulator compounds IFNG, IFNAR1, CD4 ACE 2553/4885KDM4E 4329/4885MEN1 2589/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 ACE 69/4885KDM4E 4822/4885MEN1 2797/4885

“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.

Send feedback