SCHEMBL6838945

SCHEMBL6838945

CC[C@H]1OC(=O)C(Oc2ccc(OC)c(Cl)c2)=C1c1ccc(S(C)(=O)=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.39
PTGS1 P23219 3/20 0.39
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SCN9A Q15858 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
SCHEMBL6846488 0.87 PTGS2 (0.36) PTGS2PTGS1MAPTALDH1A1SCN9A
SCHEMBL6844095 0.84 MEN1 (0.39) PTGS2PTGS1LMNANPSR1TSHR
SCHEMBL6846585 0.83 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5377415 0.83 PTGS2 (0.40) PTGS2PTGS1MAPTSCN9A
SCHEMBL7612387 0.83 PTGS2 (0.39) PTGS2
SCHEMBL7617482 0.74 PTGS1 (0.44) PTGS2PTGS1MAPT
SCHEMBL6742552 0.74 PTGS2 (0.43) PTGS2PTGS1NR1H2
SCHEMBL6846588 0.73 PTGS2 (0.39) PTGS2PTGS1MAPTSCN9A
SCHEMBL6704623 0.69 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL10948590 0.67 HSP90AA1 (0.49) PTGS2ALDH1A1SCN9A

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-20040242637-A1 Tyrosine kinase inhibitors HARTMAN GEORGE D (US) 2004-12-02 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-20040242637-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PTGS2 983/4885PTGS1 791/4885THRB 825/4885

“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.