SCHEMBL4622422

SCHEMBL4622422

CSc1ccc(CP(Cc2ccc(SC)cc2)Cc2ccc(SC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.50
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAOA P21397 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8147556 0.81 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL13026656 0.76 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL4622110 0.74 MEN1 (0.49) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL83839 0.74 ALDH1A1 (0.58) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL257109 0.74 MEN1 (0.55) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL8134573 0.72 MEN1 (0.46) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL1145845 0.72 IDO1 (0.52) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL1145841 0.72 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL2092148 0.72 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3MAOAMEN1
SCHEMBL1006499 0.72 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3MAOAMEN1

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-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
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-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 SLC6A4 3654/4885SLC6A2 4698/4885SLC6A3 4338/4885
US-20070232834-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES PHOSPHO1, TST, UACA SLC6A4 3654/4885SLC6A2 4698/4885SLC6A3 4338/4885

“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.