SCHEMBL7045949

SCHEMBL7045949

Cc1ccc(S(=O)(=O)n2ccc3c4c(ccc32)C=CC(Cc2cc(C)ccc2S(=O)(=O)O)O4)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.36
ALK Q9UM73 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.31
VEGFA P15692 2/20 0.31
EGLN1 Q9GZT9 2/20 0.31
KLK7 P49862 1/20 0.31
CYP19A1 P11511 1/20 0.31
BCHE P06276 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
SCHEMBL6570197 0.78 HTR6 (0.40) HTR6RAPGEF4MEN1KMT2A
SCHEMBL4619258 0.71
SCHEMBL4619254 0.71
SCHEMBL15973760 0.65 JAK2 (0.41)
SCHEMBL6570200 0.63 HTR6 (0.46) HTR6ALKRAPGEF4VEGFAEGLN1
SCHEMBL16893175 0.62 RAPGEF4 (0.31) RAPGEF4
SCHEMBL537494 0.62 KMT2A (0.38) RAPGEF4MEN1KMT2A
SCHEMBL909187 0.62 KMT2A (0.38) RAPGEF4MEN1KMT2A
SCHEMBL909752 0.62 KMT2A (0.38) RAPGEF4MEN1KMT2A
SCHEMBL5725028 0.61 ALDH1A1 (0.33) RAPGEF4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716998-B2 SUCH AS (2R)-3,4-DIHYDRO-2H-CHROMEN-2-YL-METHYL-4-METHYL-BENZENESULFONATE; METATHESIS RING CLOSING POLYMERIZATION WYETH 2004-04-06 US disclosed
US-20030100774-A1 Process for synthesis of 2-yl chroman derivatives WYETH (US) 2003-05-29 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-20030100774-A1 Process for synthesis of 2-yl chroman derivatives CDYL, CDY1; CDY1B, CDYL2 HTR6 744/4885ALK 2792/4885RAPGEF4 1868/4885

“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.