SCHEMBL6985837

SCHEMBL6985837

CS(=O)(=O)c1ccc(COC(=O)c2ccc3ncc(Cc4ccc(C(=O)O)cc4)c(O)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
PAX8 Q06710 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL6838124 0.91 TP53 (0.38) TP53PAX8MAPTTHRBSMN1; SMN2
SCHEMBL6844727 0.91 CA1 (0.46) TP53CA12CA1CA2CA4
SCHEMBL6842428 0.90 ALDH1A1 (0.48) TP53PAX8MAPTTHRBSMN1; SMN2
SCHEMBL6845415 0.88 PAX8 (0.42) TP53PAX8MAPTTHRBSMN1; SMN2
SCHEMBL6196320 0.88 LMNA (0.46) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6844813 0.87 ALDH1A1 (0.45) MAPTMEN1KMT2A
SCHEMBL6193976 0.87 SMN1; SMN2 (0.48) TP53PAX8MAPTTHRBSMN1; SMN2
SCHEMBL6842398 0.86 MAPT (0.41) PAX8MAPTMEN1KMT2APIM1
SCHEMBL6842986 0.86 NR4A2 (0.44) PAX8MAPTMEN1KMT2A
SCHEMBL6844771 0.86 RXRA (0.44) PAX8MAPTSMN1; SMN2MEN1KMT2A

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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 TP53 3876/4885PAX8 3028/4885MAPT 1745/4885

“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.