SCHEMBL26067291

SCHEMBL26067291

CC1N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)C(N[C@H](C(=O)NCC(=O)C(CSS)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)CSSCC(C(=O)C(=O)CSS)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.50
ELANE P08246 4/20 0.42
EHD1 Q9H4M9 5/20 0.40
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
F11 P03951 1/20 0.37
KRAS P01116 2/20 0.36
CHRNA10 Q9GZZ6 2/20 0.36
CHRNA9 Q9UGM1 2/20 0.36
KLK5 Q9Y337 1/20 0.36
FLT1 P17948 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL26067292 0.93 SLC6A3 (0.49) SLC6A3ELANEEHD1GABBR2GABBR1
SCHEMBL19432907 0.73 SLC6A3 (0.65) SLC6A3ELANEGABBR2GABBR1KRAS
SCHEMBL19231271 0.70 SLC6A3 (0.66) SLC6A3ELANEGABBR2GABBR1F11
SCHEMBL19231498 0.69 SLC6A3 (0.67) SLC6A3GABBR2GABBR1F11KRAS
Linaclotide SCHEMBL24484183 0.67 SLC6A3 (1.00) SLC6A3ELANECHRNA10CHRNA9KLK5
Linaclotide SCHEMBL13114620 0.67 SLC6A3 (1.00) SLC6A3ELANECHRNA10CHRNA9KLK5
Linaclotide SCHEMBL25681390 0.67 SLC6A3 (1.00) SLC6A3ELANECHRNA10CHRNA9KLK5
Linaclotide SCHEMBL25842727 0.67 SLC6A3 (1.00) SLC6A3ELANECHRNA10CHRNA9KLK5
SCHEMBL24484001 0.66 SLC6A3 (0.89) SLC6A3ELANECHRNA10CHRNA9CHRNA7
Linaclotide SCHEMBL25382574 0.66 SLC6A3 (0.98) SLC6A3ELANEGABBR2GABBR1CHRNA10

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-20230272007-A1 TREATMENTS FOR GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS INC (US) 2023-08-31 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-20230272007-A1 TREATMENTS FOR GASTROINTESTINAL DISORDERS GRPR, GIPR, GCGR SLC6A3 3933/4885ELANE 1868/4885EHD1 2663/4885

“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.