SCHEMBL3323311

SCHEMBL3323311

NC(=O)C(c1cccs1)C1(C(=O)O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
SLC6A3 Q01959 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.35
GRM5 P41594 1/20 0.35
GAA P10253 1/20 0.34
HSD11B1 P28845 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A4 P31645 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
SCHEMBL3435591 0.82 ALOX5 (0.43) ALOX5CES2CES1KEAP1MAPT
SCHEMBL6828713 0.76 CES2 (0.42) ALOX5CES2CES1KEAP1MAPT
SCHEMBL515707 0.72 ALOX5 (0.42) ALOX5SLC6A3CES2CES1KEAP1
SCHEMBL9814779 0.68 ALOX5 (0.50) ALOX5CES2CES1KEAP1HPGD
SCHEMBL10408648 0.67 AKR1C1 (0.43) GAAAKR1C1
SCHEMBL1568577 0.66 HPGD (0.44) ALOX5MAPTHPGDALDH1A1
SCHEMBL13163250 0.66 ALOX5 (0.51) ALOX5CES2CES1KEAP1MAPT
SCHEMBL7955355 0.66 CES2 (0.61) ALOX5CES2CES1KEAP1MAPT
SCHEMBL5027606 0.66 ALOX5 (0.51) ALOX5CES2CES1KEAP1MAPT
SCHEMBL8853390 0.64 ALOX5 (0.50) ALOX5CES2CES1KEAP1MAPT

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-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 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-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 ALOX5 2461/4885SLC6A3 2244/4885CES2 1306/4885

“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.