SCHEMBL6838877

SCHEMBL6838877

Cc1cc(C2=C(Oc3ccc(Br)cc3)C(=O)O[C@H]2C(F)C(F)F)ccc1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NAT1 P18440 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PTGS1 P23219 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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 0.81 PTGS2 (0.39) PTGS2MEN1POLBKMT2ANAT1
SCHEMBL5377415 0.72 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6844095 0.70 MEN1 (0.39) PTGS2MEN1POLBKMT2APTGS1
SCHEMBL6846588 0.70 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6846585 0.69 PTGS2 (0.44) PTGS2PTGS1L3MBTL1
SCHEMBL6846488 0.67 PTGS2 (0.36) PTGS2KMT2APTGS1
SCHEMBL6838945 0.65 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL7617482 0.62 PTGS1 (0.44) PTGS2PTGS1
SCHEMBL2333956 0.62 L3MBTL1 (0.59) KMT2ACA1CA2L3MBTL1
SCHEMBL31195820 0.62 L3MBTL1 (0.59) KMT2ACA1CA2L3MBTL1

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 983/4885MEN1 4406/4885POLB 2548/4885

“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.