SCHEMBL6041189

SCHEMBL6041189

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.61
NTSR2 O95665 1/20 0.57
NTSR1 P30989 1/20 0.57
SORT1 Q99523 1/20 0.57
KISS1R Q969F8 4/20 0.57
CTSL P07711 3/20 0.56
CTSS P25774 3/20 0.56
CTSK P43235 3/20 0.56
CTSH P09668 1/20 0.56
C5AR1 P21730 1/20 0.53
CAPN1 P07384 2/20 0.53
CTSB P07858 2/20 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
SCHEMBL6041194 1.00 CXCR4 (0.61) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL29520254 0.95 KISS1R (0.62) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL29978571 0.94 CXCR4 (0.59) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL30945042 0.93 CXCR4 (0.66) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL29380582 0.93 CXCR4 (0.64) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL30288110 0.93 KISS1R (0.61) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL31506622 0.92 DPP3 (0.61) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL31005883 0.92 KISS1R (0.57) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL31452905 0.91 CXCR4 (0.62) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL38652302 0.90 CXCR4 (0.59) CXCR4NTSR2NTSR1SORT1KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040348-A1 Methods for producing and purifying recombinant alpha-L-iduronidase ROYALTY SECURITIZATION TRUST I 2006-02-23 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-20060040348-A1 Methods for producing and purifying recombinant alpha-L-iduronidase IDUA, ENGASE, HEXA CXCR4 3375/4885NTSR2 3898/4885NTSR1 2957/4885

“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.