SCHEMBL5779641

SCHEMBL5779641

COc1nccc(NC(=O)OC(C)(C)C)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
METAP1 P53582 1/20 0.41
CYP17A1 P05093 4/20 0.40
NAMPT P43490 1/20 0.36
PIK3CD O00329 2/20 0.35
ABL1 P00519 2/20 0.35
EGFR P00533 2/20 0.35
KDR P35968 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CG P48736 2/20 0.35
PRKDC P78527 2/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
EPHB4 P54760 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
BRD9 Q9H8M2 1/20 0.35
BACE1 P56817 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL38662365 0.84 ATR (0.47) ATRMETAP1CYP17A1NAMPTPIK3CD
SCHEMBL30937713 0.83 ATR (0.46) ATRMETAP1CYP17A1NAMPTPIK3CD
SCHEMBL4393718 0.83 ATR (0.58) ATRMETAP1CYP17A1NAMPTAAK1
SCHEMBL30937539 0.81 ATR (0.47) ATRMETAP1CYP17A1NAMPTPIK3CD
SCHEMBL1723318 0.80 METAP1 (0.54) ATRMETAP1CYP17A1NAMPTBRD9
SCHEMBL30283184 0.80 METAP1 (0.54) ATRMETAP1CYP17A1NAMPTBRD9
SCHEMBL5776810 0.78 ATR (0.41) ATRMETAP1CYP17A1NAMPTAAK1
SCHEMBL30937622 0.76 ATR (0.40) ATRMETAP1CYP17A1AAK1
SCHEMBL22523291 0.76 ATR (0.47) ATRMETAP1CYP17A1NAMPTAAK1
SCHEMBL9010321 0.76 ATR (0.53) ATRMETAP1CYP17A1NAMPTAAK1

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
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R ATR 2336/4885METAP1 2140/4885CYP17A1 51/4885

“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.