SCHEMBL2591925

SCHEMBL2591925

CS(=O)(=O)OCC1(COS(C)(=O)=O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL15538067 0.98 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14671190 0.93 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL323068 0.88 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL4023446 0.88 KDM4E (0.32) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14391226 0.82 NPSR1 (0.37) USP2ALDH1A1LMNATSHR
SCHEMBL15578278 0.80 USP2 (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL1672554 0.80 ALDH1A1 (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18632473 0.79 CA2 (0.34)
SCHEMBL15353749 0.77 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL799912 0.77 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981095-B2 Intermediate compounds and process for the preparation of lurasidone and salts thereof MAPI PHARMA LTD. (IL) 2015-03-17 US disclosed
US-20140179922-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF LURASIDONE AND SALTS THEREOF MAPI PHARMA LTD. (IL) 2014-06-26 US disclosed
EP-2736905-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF LURASIDONE AND SALTS THEREOF Mapi Pharma Limited (IL) 2014-06-04 EP disclosed
WO-2013014665-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF LURASIDONE AND SALTS THEREOF MAPI PHARMA LTD. (IL) 2013-01-31 WO disclosed
WO-2011136384-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-03 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-20140179922-A1 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF LURASIDONE AND SALTS THEREOF REN, AVPR1B, AVPR2 KDM4E 3834/4885USP2 3973/4885ALDH1A1 353/4885

“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.