SCHEMBL5738845

SCHEMBL5738845

CCc1ccc(C(C)OS(C)(=O)=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL29515045 0.78 SMN1; SMN2 (0.45) ALDH1A1
SCHEMBL18489377 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24322112 0.78 SMN1; SMN2 (0.45) ALDH1A1
SCHEMBL18489379 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3228504 0.76 APLNR (0.39) ALDH1A1
SCHEMBL30328009 0.74 TRPV4 (0.40) PTGS1PTGS2
SCHEMBL2604908 0.74 ESR1 (0.42) ESR1ESR2
SCHEMBL20023726 0.72 NQO1 (0.48) ALDH1A1
SCHEMBL16647732 0.72 MBOAT4 (0.42) ESR1ESR2HDAC6
SCHEMBL16935021 0.72 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622898-A1 PROCESSES FOR MAKING THIAZOLIDINEDIONE DERIVATIVES AND COMPOUNDS THEREOF Synthon B.V. (NL) 2006-02-08 — — EP disclosed
US-20050059708-A1 Processes for making thiazolidinedione derivatives and compounds thereof SYNTHON BV (NL) 2005-03-17 — — US disclosed
WO-2004101560-A1 PROCESSES FOR MAKING THIAZOLIDINEDIONE DERIVATIVES AND COMPOUNDS THEREOF SYNTHON B.V. (NL) 2004-11-25 — — WO 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-20050059708-A1 Processes for making thiazolidinedione derivatives and compounds thereof PPARD, PPARG, PPARA PTGS1 1531/4885PTGS2 1859/4885ESR1 1266/4885

“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.

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