SCHEMBL177197

SCHEMBL177197

CC(C)(C)OC(=O)n1nc(I)c2ccc(OS(C)(=O)=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
MAP2K4 P45985 1/20 0.34
ALPL P05186 2/20 0.34
ALPI P09923 1/20 0.34
RORC P51449 1/20 0.32
GPR119 Q8TDV5 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
DYRK1A Q13627 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL15578604 0.85 DYRK1A (0.39) ALDH1A1GABRG2GABRB3GABRA5MAP2K4
SCHEMBL176978 0.84 HPGD (0.40) ALDH1A1HPGDKDM4EGAAALPL
SCHEMBL177566 0.80 ESR2 (0.40) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL18764614 0.79 PDGFRA (0.46) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL31026057 0.79 ROCK2 (0.41) ALDH1A1GABRG2GABRB3GABRA5MAP2K4
SCHEMBL22801661 0.79 ROCK2 (0.41) ALDH1A1GABRG2GABRB3GABRA5MAP2K4
SCHEMBL22801735 0.79 MAP2K4 (0.39) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL20488621 0.78 RORC (0.51) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL1513075 0.77 MAP2K4 (0.52) GABRG2GABRB3GABRA5MAP2K4RORC
SCHEMBL29951391 0.77 GABRG2 (0.36) ALDH1A1HPGDKDM4EGABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 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-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A ALDH1A1 131/4885HPGD 816/4885KDM4E 4623/4885

“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.