SCHEMBL16352049

SCHEMBL16352049

CC(=O)N[C@@H](CS)C(=O)NC(CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NC(CS)C(=O)NC(CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)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 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.54
▸ OPRM1 P35372 3/20 0.54
▸ OPRD1 P41143 3/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ NPY1R P25929 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ F2 P00734 4/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ IL23R Q5VWK5 1/20 0.51
▸ RAMP3 O60896 1/20 0.51
▸ CALCR P30988 1/20 0.51
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 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
SCHEMBL30163225 1.00 KEAP1 (0.54) KEAP1OPRM1OPRD1OPRK1NPY1R
SCHEMBL14549930 0.95 OPRM1 (0.55) KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30163263 0.95 OPRM1 (0.55) KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL15130591 0.95 OPRM1 (0.55) KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL28210612 0.95 OPRM1 (0.55) KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL28846618 0.95 OPRM1 (0.55) KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30163405 0.94 OPRM1 (0.56) KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30163248 0.94 OPRM1 (0.55) KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30353299 0.94 SLC6A2 (0.55) KEAP1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL14549935 0.93 OPRM1 (0.51) KEAP1OPRM1OPRD1OPRK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157200-A1 Low-Dose Stable Formulations of Linaclotide IRONWOOD PHARMACEUTICALS INC (US) 2017-06-08 — — US disclosed
US-20160310559-A1 Delayed Release Compositions of Linaclotide FOREST LABORATORIES HOLDINGS LIMITED (BM) 2016-10-27 — — US disclosed
US-20140378393-A1 Stable Formulations of Linaclotide IRONWOOD PHARMACEUTICALS, INC. 2014-12-25 — — 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 (3 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-20140378393-A1 Stable Formulations of Linaclotide LPXN, LPAR3, PDE8B KEAP1 2940/4885OPRM1 1362/4885OPRD1 1168/4885
US-20160310559-A1 Delayed Release Compositions of Linaclotide LPXN, LHCGR, BRS3 KEAP1 3315/4885OPRM1 1073/4885OPRD1 922/4885
US-20170157200-A1 Low-Dose Stable Formulations of Linaclotide LPXN, PDE8A, PDE8B KEAP1 2442/4885OPRM1 1183/4885OPRD1 846/4885

“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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