SCHEMBL13854243

SCHEMBL13854243

C=C1Nc2cc(Cl)c(C(=O)CSCCCC)cc2N1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.36
CES1 P23141 5/20 0.34
CES2 O00748 3/20 0.33
MAPT P10636 2/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRA P10827 1/20 0.32
ALOX15 P16050 1/20 0.31
ESR1 P03372 1/20 0.30
FAAH O00519 4/20 0.30
PLA2G6 O60733 1/20 0.30

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
SCHEMBL22907503 0.86
SCHEMBL13854246 0.83 ALDH1A1 (0.37) MAPTTP53HSD17B10
SCHEMBL13854237 0.82 THRB (0.35) THRBCES1THRA
SCHEMBL13854244 0.82 THRB (0.33) THRBCES1MAPTALOX15
SCHEMBL14498106 0.78 THRB (0.33) THRBCES1CES2MAPTGMNN
SCHEMBL4202518 0.78 SMYD3 (0.44) THRB
SCHEMBL13854247 0.76 THRB (0.36) THRBCES1CES2MAPTGMNN
SCHEMBL4197956 0.75 THRB (0.36) THRBCES1CES2MAPTGMNN
SCHEMBL4188299 0.73 MAPT (0.40) THRBCES1CES2MAPTPOLB
SCHEMBL13854249 0.72 THRB (0.34) THRBCES1MAPTALOX15

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-20090130165-A1 MIF Inhibitors CORTICAL PTY LTD 2009-05-21 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-20090130165-A1 MIF Inhibitors MIF, MMP12, IL4 THRB 3310/4885CES1 1714/4885CES2 4170/4885

“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.