SCHEMBL505406

SCHEMBL505406

Cc1ccc(S(=O)(=O)N2CCC(C)C(=O)C(Br)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 3/20 0.49
EBP Q15125 1/20 0.48
DHCR7 Q9UBM7 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.44
ACHE P22303 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7879511 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EPKMEBPDHCR7
SCHEMBL28847667 0.80 PKM (0.57) ALDH1A1KDM4EPKMEBPDHCR7
SCHEMBL13818486 0.78 EBP (0.63) ALDH1A1KDM4EPKMEBPDHCR7
SCHEMBL8185779 0.78 EBP (0.63) ALDH1A1KDM4EPKMEBPDHCR7
SCHEMBL6882681 0.78 EBP (0.63) ALDH1A1KDM4EPKMEBPDHCR7
SCHEMBL29025668 0.77 PKM (0.54) ALDH1A1KDM4EPKMEBPDHCR7
SCHEMBL3305712 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EPKMPOLBHTT
SCHEMBL3634765 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EPKMEBPDHCR7
SCHEMBL493725 0.76 PKM (0.61) ALDH1A1KDM4EPKMEBPDHCR7
SCHEMBL505404 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EPKMEBPDHCR7

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
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
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
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
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 1708/4885KDM4E 2855/4885PKM 553/4885

“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.