SCHEMBL4622110

SCHEMBL4622110

CSc1ccc(CP(Cc2ccc(SC)cc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
HPGD P15428 2/20 0.41
MAOA P21397 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4622501 0.85 MEN1 (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8134573 0.81 MEN1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4250554 0.79 TDP1 (0.43) CYP3A4ALDH1A1HPGDTP53TSHR
SCHEMBL4622422 0.74 SLC6A4 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL15660615 0.74 CALM1 (0.43) CYP3A4ALDH1A1HPGDTP53TSHR
SCHEMBL381566 0.73 LTA4H (0.57) ALDH1A1NPC1TP53RAB9A
SCHEMBL4622756 0.73 CYP3A4 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL27613417 0.73 SLC6A4 (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4622499 0.73 CYP3A4 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3409358 0.72 SLC6A4 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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 MEN1 2284/4885KMT2A 3598/4885CYP1A2 4645/4885
US-20070232834-A1 THIOPHOSPHINE COMPOUNDS AND METHODS OF MAKING POLYMERIZABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTHALMIC LENSES PHOSPHO1, TST, UACA MEN1 2284/4885KMT2A 3598/4885CYP1A2 4645/4885

“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.