SCHEMBL5405522

SCHEMBL5405522

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.62
▸ CTSL P07711 3/20 0.59
▸ CTSS P25774 3/20 0.59
▸ CTSK P43235 3/20 0.59
▸ CTSH P09668 1/20 0.59
▸ CXCR4 P61073 5/20 0.54
▸ KISS1R Q969F8 1/20 0.51
▸ APLNR P35414 1/20 0.51
▸ DPP3 Q9NY33 4/20 0.49
▸ MC4R P32245 2/20 0.48
▸ MC5R P33032 2/20 0.48
▸ MC3R P41968 2/20 0.48
▸ MC1R Q01726 2/20 0.48
▸ CTNNB1 P35222 1/20 0.48

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
SCHEMBL5405514 1.00 C5AR1 (0.62) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30609016 0.92 CTSL (0.60) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30609010 0.92 CTSL (0.60) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30183179 0.89 CTSL (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31040596 0.89 CTSL (0.59) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30609005 0.88 CTSL (0.61) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30577311 0.88 CTSL (0.61) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL34461111 0.88 DPP3 (0.56) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL34461092 0.88 CXCR4 (0.59) C5AR1CXCR4KISS1RDPP3
SCHEMBL30301165 0.88 C5AR1 (0.67) C5AR1CTSLCTSSCTSKCTSH

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 C5AR1 1608/4885CTSL 1731/4885CTSS 3915/4885

“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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