SCHEMBL505540

SCHEMBL505540

CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CCC1=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 6/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 2/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL2241657 0.89 ALDH1A1 (0.64) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL2476165 0.83 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL5915613 0.81 POLB (0.57) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL10251453 0.78 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL7879510 0.77 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL505404 0.76 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL15362318 0.75 ALDH1A1 (0.68) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL20955891 0.75 ALDH1A1 (0.60) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL15362323 0.74 ALDH1A1 (1.00) ALDH1A1LMNAKMT2ARAB9A
SCHEMBL12686068 0.74 ALDH1A1 (0.65) ALDH1A1LMNAL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1708/4885LMNA 4054/4885L3MBTL1 3924/4885

“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.