SCHEMBL6838124

SCHEMBL6838124

O=C(O)c1ccc(Cc2cnc3ccc(C(=O)OCc4ccc(S(=O)(=O)O)cc4)cc3c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
PAX8 Q06710 1/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA4 P22748 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CA14 Q9ULX7 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6985837 0.91 TP53 (0.39) TP53PAX8MAPTTHRBSMN1; SMN2
SCHEMBL6844727 0.91 CA1 (0.46) TP53CA12CA1CA2CA9
SCHEMBL6844813 0.90 ALDH1A1 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6196320 0.89 LMNA (0.46) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6842428 0.89 ALDH1A1 (0.48) TP53PAX8MAPTTHRBSMN1; SMN2
SCHEMBL6845415 0.87 PAX8 (0.42) TP53PAX8MAPTTHRBSMN1; SMN2
SCHEMBL6842398 0.87 MAPT (0.41) PAX8MAPTMEN1KMT2APIM1
SCHEMBL6842986 0.87 NR4A2 (0.44) PAX8MAPTMEN1KMT2AALDH1A1
SCHEMBL6844771 0.87 RXRA (0.44) PAX8MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6843455 0.87 RXRA (0.44) TP53PAX8MAPTMEN1KMT2A

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.