SCHEMBL6846488

SCHEMBL6846488

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.36
PTGS1 P23219 2/20 0.36
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
SOS1 Q07889 1/20 0.32
BRD4 O60885 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
CHEK2 O96017 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6846585 0.92 PTGS2 (0.44) PTGS2PTGS1SOS1NR3C1PGR
SCHEMBL5377415 0.88 PTGS2 (0.40) PTGS2PTGS1BRD4NR3C1PGR
SCHEMBL6838945 0.87 PTGS2 (0.39) PTGS2PTGS1ALDH1A1MAPTSCN9A
SCHEMBL6844095 0.84 MEN1 (0.39) PTGS2PTGS1BRD4PGRKMT2A
SCHEMBL7612387 0.84 PTGS2 (0.39) PTGS2NR3C1PGRNR3C2KMT2A
SCHEMBL7617482 0.79 PTGS1 (0.44) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL6704623 0.77 PTGS2 (0.39) PTGS2PTGS1SOS1BRD4TDP1
SCHEMBL6846588 0.77 PTGS2 (0.39) PTGS2PTGS1BRD4CYP1A2MAPT
SCHEMBL6742552 0.71 PTGS2 (0.43) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL10948590 0.70 HSP90AA1 (0.49) PTGS2HTR2ASLC6A4KCNH2SOS1

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 791/4885HTR2A 4098/4885

“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.