Iodide

Iodide

SCHEMBL9933682

CCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc2c1Nc1c(C)cccc1S2.I.I.I

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.42
PDK2 Q15119 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NAMPT P43490 1/20 0.38
ESRRB O95718 1/20 0.37
ESR1 P03372 1/20 0.37

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 SCHEMBL13386315 0.96 PDK2 (0.40) GPR119PDK2MAPTALDH1A1LMNA
Iodide SCHEMBL9932164 0.91 GPR119 (0.45) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL2587174 0.90 GPR119 (0.46) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL15875834 0.86 SMN1; SMN2 (0.40) GPR119MAPTALDH1A1LMNAMEN1
Iodide SCHEMBL13386311 0.84 SMN1; SMN2 (0.37) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL15875889 0.84 MAPT (0.46) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL15925825 0.83 MEN1 (0.43) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL13386221 0.83 SMN1; SMN2 (0.38) GPR119PDK2MAPTALDH1A1LMNA
Iodide SCHEMBL2595574 0.82 APP (0.33) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL15925822 0.80 SMN1; SMN2 (0.43) GPR119PDK2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699241-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-07-27 EP disclosed
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 EP disclosed
US-8828986-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-09-09 US disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US disclosed
US-20120270854-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-10-25 US disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 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 (2 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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 GPR119 3437/4885PDK2 1288/4885MAPT 693/4885
US-20120270854-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 GPR119 2643/4885PDK2 1701/4885MAPT 1569/4885

“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.