SCHEMBL2955944

SCHEMBL2955944

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.32
HSD11B1 P28845 3/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NPY1R P25929 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Silver SCHEMBL5376950 0.82 FABP3 (0.34) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL6871436 0.78 FABP4 (0.43) NR1I2TDP1
SCHEMBL27726992 0.78 FABP3 (0.36) NR1I2MEN1TP53CYP3A4MAPT
SCHEMBL2955947 0.76 NR1I2 (0.33) NR1I2MEN1TP53CYP3A4MAPT
SCHEMBL2956694 0.73 ALDH1A1 (0.35) HSD11B1MEN1KMT2A
SCHEMBL178363 0.71 FABP3 (0.49) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL5388305 0.71 FABP3 (0.49) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL5378739 0.70 HPRT1 (0.36) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL5376952 0.70 FABP3 (0.47) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL5406930 0.70 HSD11B1 (0.42) HSD11B1MEN1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
US-7759045-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
US-20090004601-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
US-7135268-B2 Using aromatic sulfonate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-14 US disclosed
US-6893794-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20040029037-A1 Amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-02-12 US disclosed
US-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 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-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 NR1I2 860/4885HSD11B1 1803/4885MEN1 528/4885

“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.