SCHEMBL6842639

SCHEMBL6842639

CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc3cc(O)c(Cc4ccc(C(=O)O)cc4)c(O)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
TAS2R14 Q9NYV8 5/20 0.38
AKR1B1 P15121 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6843453 0.90 CA12 (0.40) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL6843437 0.89 CA1 (0.48)
SCHEMBL6842988 0.89 CA1 (0.38) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL6843114 0.87 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AMAPK1POLB
SCHEMBL6843319 0.85 SRD5A2 (0.43) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL6195785 0.85 LMNA (0.48) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6843225 0.84 ALDH1A1 (0.44) ALDH1A1TSHRKMT2APOLBMEN1
SCHEMBL6211990 0.84 PTPN5 (0.47) ALDH1A1KMT2APOLBMEN1TAS2R14
SCHEMBL6838144 0.83 NR4A2 (0.43) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL6843440 0.83 RXRA (0.43) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2

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.