SCHEMBL6157839

SCHEMBL6157839

O=C1CC(S)CN1CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
DPP4 P27487 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SRD5A2 P31213 1/20 0.41

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
SCHEMBL6158376 0.86 HPGD (0.54) SMN1; SMN2KMT2AMEN1HPGDDPP4
SCHEMBL6158698 0.86 HPGD (0.54) SMN1; SMN2KMT2AMEN1HPGDDPP4
SCHEMBL6157651 0.86 HPGD (0.54) SMN1; SMN2KMT2AMEN1HPGDDPP4
SCHEMBL6159630 0.84 SMN1; SMN2 (0.48) DAOL3MBTL1FFAR1SMN1; SMN2ATM
SCHEMBL6158991 0.81 SMN1; SMN2 (0.46) DAOL3MBTL1FFAR1SMN1; SMN2ATM
SCHEMBL6159813 0.78 SMN1; SMN2 (0.48) DAOL3MBTL1FFAR1SMN1; SMN2ATM
SCHEMBL6158611 0.78 POLB (0.43) DAOL3MBTL1SMN1; SMN2ATMPOLB
SCHEMBL6158256 0.78 HPGD (0.50) SMN1; SMN2HPGD
SCHEMBL6158414 0.77 SMN1; SMN2 (0.47) DAOL3MBTL1FFAR1SMN1; SMN2ATM
SCHEMBL6157431 0.76 HRH3 (0.45) L3MBTL1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 DAO 173/4885L3MBTL1 3315/4885FFAR1 2564/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 DAO 207/4885L3MBTL1 3278/4885FFAR1 2702/4885

“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.