SCHEMBL6160000

SCHEMBL6160000

CC(=O)SC1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)C(=O)C1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTPN1 P18031 2/20 0.41
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPRB P23467 1/20 0.41
ACP1 P24666 1/20 0.41
FFAR1 O14842 1/20 0.40
SRD5A2 P31213 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FAAH O00519 2/20 0.39
MGLL Q99685 1/20 0.39
LTA4H P09960 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM5 P08912 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
SCHEMBL6158601 0.80 ALDH1A1 (0.48) MEN1KMT2A
SCHEMBL6159820 0.79 MEN1 (0.43) MEN1KMT2APTPN1PTPRFPTPN2
SCHEMBL6158954 0.79 MEN1 (0.43) MEN1KMT2AFAAHLTA4HHRH3
SCHEMBL6158960 0.79 MEN1 (0.43) MEN1KMT2AFAAHLTA4HHRH3
SCHEMBL6158966 0.79 MEN1 (0.43) MEN1KMT2AFAAHLTA4HHRH3
SCHEMBL6158680 0.78 HCRTR1 (0.46) PTPN1PTPRFPTPN2PTPRBACP1
SCHEMBL6157016 0.75 HRH3 (0.44) FAAHMGLLLTA4HHRH3
SCHEMBL6158824 0.74 HCRTR1 (0.45) MEN1KMT2AFFAR1SRD5A2FAAH
SCHEMBL6159439 0.74 HCRTR1 (0.45) MEN1KMT2AFFAR1SRD5A2FAAH
SCHEMBL6160039 0.74 MEN1 (0.49) MEN1KMT2APTPN1PTPRFPTPN2

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 MEN1 3957/4885KMT2A 1898/4885PTPN1 322/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 MEN1 3906/4885KMT2A 1850/4885PTPN1 393/4885

“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.