SCHEMBL6844095

SCHEMBL6844095

CC[C@H]1OC(=O)C(Oc2ccccc2)=C1c1ccc(S(C)(=O)=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 6/20 0.38
PTGS1 P23219 3/20 0.37
BRD4 O60885 1/20 0.36
EPHX2 P34913 1/20 0.34
GSTP1 P09211 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
PGR P06401 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 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
SCHEMBL7612387 0.90 PTGS2 (0.39) MEN1POLBKMT2APTGS2L3MBTL1
SCHEMBL6846585 0.86 PTGS2 (0.44) PTGS2PTGS1L3MBTL1PGR
SCHEMBL6846488 0.84 PTGS2 (0.36) KMT2APTGS2PTGS1BRD4PGR
SCHEMBL6838945 0.84 PTGS2 (0.39) PTGS2PTGS1LMNANPSR1TSHR
SCHEMBL7617482 0.81 PTGS1 (0.44) PTGS2PTGS1PGR
SCHEMBL6704623 0.70 PTGS2 (0.39) PTGS2PTGS1BRD4L3MBTL1HTT
SCHEMBL6838877 0.70 PTGS2 (0.37) MEN1POLBKMT2APTGS2PTGS1
SCHEMBL6742552 0.70 PTGS2 (0.43) PTGS2PTGS1PGR
SCHEMBL6744040 0.68 NR3C1 (0.39) PTGS2PTGS1PGR
SCHEMBL6734556 0.67 NR3C1 (0.44) PTGS2PTGS1PGR

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 MEN1 4406/4885POLB 2548/4885KMT2A 3298/4885

“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.