SCHEMBL13638177

SCHEMBL13638177

COc1ccc2c(c1)SC(C(O)C(C)(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
KYAT1 Q16773 1/20 0.34
KYAT3 Q6YP21 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
OPRM1 P35372 1/20 0.33
SNCA P37840 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP26A1 O43174 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL13638214 0.77 SLC6A2 (0.39) KDM4EALDH1A1ACHEDRD2DRD3
SCHEMBL630847 0.72 KDM4E (0.62) KDM4EALDH1A1ACHEDRD2DRD3
SCHEMBL29698855 0.72 KDM4E (0.43) KDM4EALDH1A1ACHEDRD2DRD3
SCHEMBL13638175 0.71 KDM4E (0.45) KDM4EALDH1A1ACHEDRD2DRD3
SCHEMBL7590712 0.62 SMN1; SMN2 (0.42) KDM4EALDH1A1ACHEMTNR1AMTNR1B
SCHEMBL9824427 0.60 CA1 (0.40) KDM4EALDH1A1ACHEKYAT1KYAT3
SCHEMBL23343811 0.60 DRD2 (0.54) ACHEDRD2DRD3HTR2CHTR2B
SCHEMBL11669272 0.60 DRD2 (0.54) ACHEDRD2DRD3HTR2CHTR2B
SCHEMBL3961628 0.60 DRD2 (0.54) ACHEDRD2DRD3HTR2CHTR2B
SCHEMBL11669268 0.60 DRD2 (0.54) ACHEDRD2DRD3HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-11-19 US 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 (1 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-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES SULT1A1, SULT1E1, SULT2A1 KDM4E 1985/4885ALDH1A1 79/4885ACHE 2390/4885

“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.