Sugi Predict

Sugi Predict / Compounds / SCHEMBL14213232

SCHEMBL14213232

SCHEMBL14213232

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(C)c4OCC(=O)NCCCn4cncn4)c3OCC(=O)NCCCn3cncn3)c2OCC(=O)NCCCn2cncn2)c1OCC(=O)NCCCn1cncn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10046750 0.96 GAA (0.39) GAAKDM4EMAPTGSK3AGSK3B
SCHEMBL14213243 0.90 MAPT (0.39) GAAMAPTGSK3AGSK3BMEN1
SCHEMBL16501741 0.88 GAA (0.37) GAAKDM4EMAPTGSK3AGSK3B
SCHEMBL14213236 0.81 TSHR (0.38) KDM4EMAPTTSHRALDH1A1MAPK1
SCHEMBL15479693 0.80 BCHE (0.43) GAAKMT2ATSHRALDH1A1MAPK1
SCHEMBL14213234 0.79 LMNA (0.36) KMT2ATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL13992482 0.74 LMNA (0.39) KMT2ATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL13992481 0.72 NPSR1 (0.52) GAAKDM4EMAPTTSHRCYP1A2
SCHEMBL14213255 0.71 CD69 (0.54) HSD17B10CYP2C19ALDH1A1
SCHEMBL26783094 0.69 ESR1 (0.39) GAAKDM4EHSD17B10CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716343-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-06 — — US disclosed
US-8642656-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-04 — — US disclosed
US-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-02-07 — — US disclosed
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-12-06 — — 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-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU GAA 1980/4885KDM4E 4750/4885MAPT 4561/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU GAA 1980/4885KDM4E 4750/4885MAPT 4561/4885

“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.