SCHEMBL17176397

SCHEMBL17176397

CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 4/20 0.55
▸ TFPI P10646 1/20 0.54
▸ OPRL1 P41146 4/20 0.52
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ NPY4R P50391 5/20 0.50
▸ NPY1R P25929 4/20 0.50
▸ NPY2R P49146 4/20 0.50
▸ NPY5R Q15761 4/20 0.50

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
SCHEMBL19953938 0.97 TFPI (0.58) IL23RTFPIOPRL1OPRM1OPRD1
SCHEMBL30413829 0.90 TFPI (0.60) IL23RTFPIOPRL1OPRM1OPRD1
SCHEMBL17176229 0.90 OPRM1 (0.59) IL23RTFPIOPRL1OPRM1OPRD1
SCHEMBL17176529 0.87 OPRD1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL17176234 0.87 OPRD1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL31504570 0.87 TFPI (0.67) IL23RTFPIOPRL1OPRM1OPRD1
SCHEMBL22807671 0.87 TFPI (0.64) IL23RTFPIOPRL1
SCHEMBL29372983 0.87 TFPI (0.64) IL23RTFPIOPRL1
SCHEMBL30412542 0.87 TFPI (0.59) IL23RTFPI
SCHEMBL30810167 0.86 NPY4R (0.59) IL23RNPY4RNPY1RNPY2RNPY5R

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-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS Anglachem Inc. (CA) 2015-10-15 — — 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-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS IDUA, GAA, MAN2B1 IL23R 3331/4885TFPI 3118/4885OPRL1 4030/4885

“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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