SCHEMBL5400274

SCHEMBL5400274

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.40
▸ OPRM1 P35372 4/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LAP3 P28838 3/20 0.38
▸ CTSB P07858 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37

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
SCHEMBL5400268 1.00 OPRD1 (0.40) OPRD1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL23543167 0.90 ALDH1A1 (0.47) OPRD1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL11126832 0.90 ALDH1A1 (0.47) OPRD1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL23543178 0.90 ALDH1A1 (0.47) OPRD1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL30482917 0.89 OPRD1 (0.44) OPRD1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL29434565 0.85 ALDH1A1 (0.57) ALDH1A1MAPTCTSBCTSLCTSS
SCHEMBL2544247 0.85 ALDH1A1 (0.46) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL8645853 0.85 ALDH1A1 (0.46) ALDH1A1MAPTLAP3MEN1LMNA
SCHEMBL2555751 0.85 TERT (0.43) OPRD1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL29756489 0.83 OPRM1 (0.43) OPRD1OPRM1OPRK1CTSBMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279170-B2 32-kDa protein derived from Mycobacterium tuberculosis and related peptides N.V. INNOGENETICS S.A. (BE) 2007-10-09 — — US disclosed
US-20070003569-A1 32-kDa protein derived from Mycobacterium tuberculosis and related peptides N.V. INNOGENETICS S.A. (BE) 2007-01-04 — — US disclosed
US-7083797-B2 32-kDa protein derived from Mycobacterium tuberculosis and related peptides N.V. INNOGENETICS S.A. (BE) 2006-08-01 — — US disclosed
US-20030225249-A1 32-kDa protein derived from mycobacterium tuberculosis and related peptides N.V. INNOGENETICS S.A., A BELGIUM CORPORATION 2003-12-04 — — US disclosed
US-6531138-B1 Conjugated polypeptide composition induces the production of antibodies against Mycobacterium tuberculosis N.V. INNOGENETICS S.A. (BE) 2003-03-11 — — US disclosed
EP-0419355-B1 Recombinant polypeptides and peptides, nucleic acids coding for the same and use of these polypeptides and peptides in the diagnostic of tuberculosis INNOGENETICS NV (BE) 2000-02-09 — — EP disclosed
US-5916558-A Recombinant polypeptides and peptides, nucleic acids coding for the same and use of these polypeptides and peptides in the diagnostic of tuberculosis N.V. INNOGENETICS S.A. (BE) 1999-06-29 — — US disclosed
WO-1991004272-A1 RECOMBINANT POLYPEPTIDES AND PEPTIDES, NUCLEIC ACIDS CODING FOR THE SAME AND USE OF THESE POLYPEPTIDES AND PEPTIDES IN THE DIAGNOSTIC OF TUBERCULOSIS N.V. INNOGENETICS S.A. (BE) 1991-04-04 — — WO disclosed
EP-0419355-A1 Recombinant polypeptides and peptides, nucleic acids coding for the same and use of these polypeptides and peptides in the diagnostic of tuberculosis N.V. INNOGENETICS S.A. (BE) 1991-03-27 — — 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 (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-20030225249-A1 32-kDa protein derived from mycobacterium tuberculosis and related peptides PA2G4, EPB41L2, SPPL2B OPRD1 4464/4885OPRM1 4584/4885OPRK1 4796/4885

“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