SCHEMBL14549924

SCHEMBL14549924

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)[C@H](CS)NC(=O)C(Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C(CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.56
▸ SLC6A2 P23975 1/20 0.55
▸ OPRM1 P35372 4/20 0.54
▸ OPRD1 P41143 4/20 0.54
▸ CALCRL Q16602 3/20 0.52
▸ RAMP1 O60894 1/20 0.52
▸ CALCR P30988 4/20 0.52
▸ OPRK1 P41145 2/20 0.52

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
SCHEMBL11997748 1.00 KEAP1 (0.56) KEAP1SLC6A2OPRM1OPRD1CALCRL
SCHEMBL30163250 1.00 KEAP1 (0.56) KEAP1SLC6A2OPRM1OPRD1CALCRL
SCHEMBL15130591 0.97 OPRM1 (0.55) KEAP1SLC6A2OPRM1OPRD1CALCR
SCHEMBL28210612 0.97 OPRM1 (0.55) KEAP1SLC6A2OPRM1OPRD1CALCR
SCHEMBL30163263 0.97 OPRM1 (0.55) KEAP1SLC6A2OPRM1OPRD1CALCR
SCHEMBL14549930 0.97 OPRM1 (0.55) KEAP1SLC6A2OPRM1OPRD1CALCR
SCHEMBL28846618 0.97 OPRM1 (0.55) KEAP1SLC6A2OPRM1OPRD1CALCR
SCHEMBL30163405 0.96 OPRM1 (0.56) KEAP1SLC6A2OPRM1OPRD1CALCR
SCHEMBL30163248 0.95 OPRM1 (0.55) KEAP1SLC6A2OPRM1OPRD1CALCR
SCHEMBL29597272 0.94 OPRM1 (0.55) KEAP1SLC6A2OPRM1OPRD1CALCR

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-20130012454-A1 Orally Disintegrating Compositions of Linaclotide IRONWOOD PHARMACEUTICALS, INC. (US) 2013-01-10 — — 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-20130012454-A1 Orally Disintegrating Compositions of Linaclotide LPXN, SI, CEL KEAP1 3847/4885SLC6A2 2887/4885OPRM1 1645/4885

“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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