SCHEMBL4623271

SCHEMBL4623271

CSc1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
KMT2A Q03164 3/20 0.41
PTGS2 P35354 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
IDO1 P14902 1/20 0.37
AKR1C3 P42330 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
SCHEMBL4622445 1.00 ESR1 (0.52) ESR1ESR2KMT2APTGS2MEN1
SCHEMBL4620299 0.91 ALDH1A1 (0.42) ESR1ESR2KMT2AMEN1CYP1A2
SCHEMBL517954 0.77 ESR1 (0.68) ESR1ESR2ALDH1A1LMNAMAPT
SCHEMBL4622447 0.77 MEN1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4623273 0.77 MEN1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C9
Methylphenylsulfide SCHEMBL11437167 0.74 KMT2A (0.39) ESR1ESR2KMT2APTGS2MEN1
Methylphenylsulfide SCHEMBL1332325 0.74
Methylphenylsulfide SCHEMBL7584 0.74
Phosphine SCHEMBL15190577 0.74 ESR1 (0.65) ESR1ESR2ALDH1A1LMNAMAPT
Methylphenylsulfide SCHEMBL4902407 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446228-B2 Thiophosphine compounds ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2008-11-04 US disclosed
US-7446228-B2 Thiophosphine compounds ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2008-11-04 US disclosed
US-7446228-B2 Thiophosphine compounds ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2008-11-04 US disclosed
US-7378556-B2 Process for making thiophosphine compounds ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2008-05-27 US disclosed
US-7378556-B2 Process for making thiophosphine compounds ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2008-05-27 US disclosed
US-7378556-B2 Process for making thiophosphine compounds ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2008-05-27 US disclosed
EP-1608704-B1 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INT (FR) 2008-03-19 EP disclosed
EP-1608704-B1 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INT (FR) 2008-03-19 EP disclosed
US-20070232834-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-10-04 US disclosed
US-20070232834-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-10-04 US disclosed
US-20070232834-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-10-04 US disclosed
US-20070232835-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-10-04 US disclosed
US-20070232835-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-10-04 US disclosed
US-20070232835-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-10-04 US disclosed
US-7129321-B2 Thiophosphine compounds and methods of making polymerizable compositions containing them and their use for making ophthalmic lenses ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-10-31 US disclosed
EP-1608704-A2 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2005-12-28 EP disclosed
US-20050107579-A1 Thiophosphine compounds and methods of making polymerizable compositions containing them and their use for making ophthalmic lenses ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2005-05-19 US disclosed
WO-2004085447-A2 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2004-10-07 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 (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-20070232835-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES PHOSPHO1, TST, UACA ESR1 4716/4885ESR2 4648/4885KMT2A 3598/4885
US-20070232834-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES PHOSPHO1, TST, UACA ESR1 4716/4885ESR2 4648/4885KMT2A 3598/4885

“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.