SCHEMBL4167223

SCHEMBL4167223

[NH]C(c1ccccc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KEAP1 Q14145 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.36
AHR P35869 1/20 0.36
DAO P14920 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL945317 0.80 MAPT (0.44) MAPTTSHRCES2CES1KEAP1
SCHEMBL1537396 0.77 MAPT (0.57) MAPTTSHRCES2CES1KEAP1
SCHEMBL31065464 0.77 MAPT (0.57) MAPTTSHRCES2CES1KEAP1
SCHEMBL29093481 0.74 MAPT (0.42) MAPTTSHRCES2CES1KEAP1
SCHEMBL6563562 0.74 HTT (0.43) MAPTTSHROPRM1OPRD1OPRK1
SCHEMBL9024882 0.74 MAPT (0.42) MAPTTSHRCES2CES1KEAP1
SCHEMBL3645137 0.74 MAPT (0.46) MAPTTSHRCES2CES1KEAP1
SCHEMBL4001740 0.74 MAPT (0.46) MAPTTSHRCES2CES1KEAP1
SCHEMBL9563208 0.74 MAPT (0.42) MAPTTSHRCES2CES1KEAP1
SCHEMBL28642642 0.74 MAPT (0.42) MAPTTSHRCES2CES1KEAP1

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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 MAPT 2739/4885TSHR 23/4885CES2 1150/4885

“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.