SCHEMBL4551419

SCHEMBL4551419

O=C(O)c1ccc(CSc2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 2/20 0.55
HPGD P15428 4/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.54
AR P10275 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
NR4A2 P43354 1/20 0.48
DRD2 P14416 1/20 0.47
TBXA2R P21731 1/20 0.47
TTR P02766 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL13452529 0.83 MRGPRX4 (0.70) PTPRGHPGDPOLBLMNAAR
SCHEMBL28101080 0.82 POLB (0.61) PTPRGPOLBLMNAARMRGPRX4
SCHEMBL4414886 0.82 HPGD (0.55) PTPRGHPGDPOLBLMNACYP1A2
SCHEMBL23680537 0.78 HPGD (0.68) HPGDLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL509527 0.78 HPGD (0.61) HPGDPOLBLMNACYP1A2CYP2C9
SCHEMBL15143413 0.77 PTPRG (0.51) PTPRGPOLBARMRGPRX4CYP2C9
SCHEMBL4541917 0.77 RXRA (0.58) HPGDPOLBLMNARXRARXRB
SCHEMBL15123244 0.76 MRGPRX4 (0.54) PTPRGHPGDPOLBLMNAAR
SCHEMBL16559316 0.75 MEN1 (0.57) PTPRGPOLBLMNACYP1A2SMN1; SMN2
SCHEMBL365542 0.75 PKM (0.49) HPGDRXRARXRBNR4A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 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 (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-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS PTPRG 1291/4885HPGD 1251/4885POLB 1871/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS PTPRG 1291/4885HPGD 1251/4885POLB 1871/4885

“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.