SCHEMBL504642

SCHEMBL504642

CCOC(=O)C1(C)CCN(S(=O)(=O)c2ccc(C)cc2)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL6520496 0.80 ALDH1A1 (0.58) ALDH1A1KMT2ALMNACYP2C19KDM4E
SCHEMBL10251283 0.78 PKM (0.50) ALDH1A1KMT2ALMNACYP2C19POLB
SCHEMBL7880837 0.77 KMT2A (0.46) ALDH1A1KMT2ALMNACYP2C19KDM4E
SCHEMBL6975890 0.74 NEK2 (0.52) ALDH1A1LMNACYP2C9POLBPKM
SCHEMBL11114152 0.72 ALDH1A1 (0.52) ALDH1A1KMT2ALMNACYP2C19POLB
SCHEMBL11118092 0.72 CYP2C19 (0.55) ALDH1A1KMT2ALMNACYP2C19PKM
SCHEMBL18286044 0.71 OPRM1 (0.38) ALDH1A1KMT2ALMNAPOLB
SCHEMBL505540 0.71 ALDH1A1 (0.70) ALDH1A1KMT2ALMNAKDM4EPKM
SCHEMBL11116601 0.71 ALDH1A1 (0.48) ALDH1A1KMT2ALMNACYP2C19CYP2C9
SCHEMBL11133437 0.71 ALDH1A1 (0.48) ALDH1A1KMT2ALMNACYP2C19CYP2C9

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 1708/4885KMT2A 1661/4885LMNA 4054/4885

“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.