SCHEMBL10000491

SCHEMBL10000491

CCC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCSC)C(N)=O)C(C)CC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.59
▸ CTSL P07711 3/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 3/20 0.58
▸ CTSH P09668 1/20 0.58
▸ CXCR4 P61073 2/20 0.58
▸ PTH1R Q03431 8/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.53
▸ CXCL8 P10145 2/20 0.53
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53

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
Rinnipwseamm SCHEMBL30420540 0.95 CXCR4 (0.58) KEAP1CTSLCTSSCTSKCTSH
SCHEMBL31694492 0.88 KEAP1 (0.70) KEAP1CXCR4PTH1RCXCL8
SCHEMBL31247476 0.86 CAPN1 (0.54) KEAP1CTSLCTSSCTSKCTSH
SCHEMBL30512624 0.85 CXCR4 (0.58) KEAP1CTSLCTSSCTSKCTSH
SCHEMBL30887976 0.85 KEAP1 (0.69) KEAP1CTSLCTSSCTSKCTSH
SCHEMBL29415999 0.84 NPY1R (0.59) KEAP1CXCR4PTH1RCXCL8
SCHEMBL15483244 0.84 KEAP1 (0.54) KEAP1CTSLCTSSCTSKCTSH
SCHEMBL30343340 0.84 C5AR1 (0.60) KEAP1CXCR4MC4RMC5RMC3R
SCHEMBL30258085 0.84 CXCL8 (0.55) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30780078 0.84 KEAP1 (0.57) KEAP1CTSLCTSSCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093046-B2 CVN-12p1: a recombinant allosteric lectin antagonist of HIV-1 envelope gp120 interactions Philadelphia Health and Education Corporation d/b/c Drexel University College of Medicine (US) 2012-01-10 — — US disclosed
US-8093046-B2 CVN-12p1: a recombinant allosteric lectin antagonist of HIV-1 envelope gp120 interactions Philadelphia Health and Education Corporation d/b/c Drexel University College of Medicine (US) 2012-01-10 — — US disclosed
US-20090233850-A1 CVN-12p1: a recombinant allosteric lectin antagonist of HIV-1 envelope gp120 interactions PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2009-09-17 — — US disclosed
US-20090233850-A1 CVN-12p1: a recombinant allosteric lectin antagonist of HIV-1 envelope gp120 interactions PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2009-09-17 — — 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-20090233850-A1 CVN-12p1: a recombinant allosteric lectin antagonist of HIV-1 envelope gp120 interactions CD4, LGALS1, IL1RN KEAP1 3664/4885CTSL 1130/4885CTSS 2825/4885

“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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