Iodide

Iodide

SCHEMBL789903

C[S+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1.[I-]

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 4/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
NTSR1 P30989 1/20 0.48
SCN9A Q15858 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CTSK P43235 6/20 0.46
CTSL P07711 4/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44

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
Iodide SCHEMBL789904 1.00 L3MBTL1 (0.48) L3MBTL1MAPK1MAPTNPSR1NTSR1
SCHEMBL19716705 0.87 KLK5 (0.57) L3MBTL1MAPK1MAPTNPSR1NTSR1
SCHEMBL16011173 0.87 KLK5 (0.57) L3MBTL1MAPK1MAPTNPSR1NTSR1
SCHEMBL19734745 0.84 L3MBTL1 (0.56) L3MBTL1MAPK1MAPTNPSR1NTSR1
SCHEMBL10058224 0.84 L3MBTL1 (0.46) L3MBTL1MAPK1MAPTNPSR1NTSR1
SCHEMBL951538 0.81 KMT2A (0.59) L3MBTL1MAPK1MAPTNPSR1NTSR1
SCHEMBL14337552 0.81 MAPT (0.53) L3MBTL1MAPK1MAPTNPSR1NTSR1
Iodide SCHEMBL6620788 0.80 CTSS (0.51) MAPTCTSKCTSLCTSBCTSS
Iodide SCHEMBL6620792 0.80 CTSS (0.51) MAPTCTSKCTSLCTSBCTSS
SCHEMBL12025746 0.79 YAP1 (0.55) MAPK1KMT2ACTSL

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
EP-2616074-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-07-24 EP disclosed
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-07-18 US disclosed
WO-2012037393-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2012-03-22 WO 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-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR180 L3MBTL1 3115/4885MAPK1 3788/4885MAPT 4850/4885

“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.