SCHEMBL6843115

SCHEMBL6843115

CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc3ccc(C(O)c4ccc(C(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS2R14 Q9NYV8 4/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL6843386 0.89 CA1 (0.41) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6842640 0.88 ALDH1A1 (0.48) ALDH1A1TSHRKMT2AMAPK1MEN1
SCHEMBL6845362 0.88 CA1 (0.42) ALDH1A1TSHRKMT2AMEN1CA12
SCHEMBL6842383 0.87 CA1 (0.55) CA12CA1CA2CA9CA14
SCHEMBL6843238 0.86 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AMAPK1MEN1
SCHEMBL6838252 0.86 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMAPK1MEN1
SCHEMBL6843419 0.84 RXRA (0.43) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL6194312 0.83 MAPT (0.50) ALDH1A1KMT2AMAPTRXRASMN1; SMN2
SCHEMBL6198198 0.83 NPC1 (0.50) ALDH1A1CA1CA2POLBMAPT
SCHEMBL6195444 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1MEN1CA12

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 ALDH1A1 1588/4885TSHR 3787/4885KMT2A 4149/4885

“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.