SCHEMBL6831723

SCHEMBL6831723

O=C(O)c1ccc2c(c1)C(=O)C(Cc1ccc(Cl)cc1)[S+]([O-])N2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
NR4A2 P43354 2/20 0.36
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 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
SCHEMBL6680629 0.91 KMT2A (0.40) MAPT
SCHEMBL6834783 0.90 TSHR (0.40) TSHR
SCHEMBL6831785 0.89 KDM4E (0.36) MRGPRX4
SCHEMBL6835347 0.89 RXRA (0.40) ALDH1A1MRGPRX4NR4A2MAPT
SCHEMBL6835570 0.88 GRK6 (0.34) ALDH1A1TSHR
SCHEMBL6835278 0.87 KDM5A (0.35) TSHRMRGPRX4
SCHEMBL6837169 0.82 NR4A2 (0.40) ALDH1A1NR4A2MAPT
SCHEMBL6834729 0.82 TP53 (0.44) MAPT
SCHEMBL6831721 0.80 MAPT (0.47) ALDH1A1MAPT
SCHEMBL6835396 0.76 MRGPRX4 (0.37) ALDH1A1ALOX15MRGPRX4CA1CA2

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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 ALDH1A1 1202/4885ALOX15 106/4885TSHR 3050/4885

“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.