SCHEMBL6501057

SCHEMBL6501057

CC(C)(C)c1ccc(C(=O)OCCC2SC(NC3CC4C=CC3C4)=NC2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.32
BCHE P06276 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 3/20 0.31
TP53 P04637 3/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6506231 0.90 KMT2A (0.37) MAPTKMT2APOLBALDH1A1GAA
SCHEMBL6510626 0.88 TDP1 (0.34) KMT2APOLBALDH1A1HPGDGAA
SCHEMBL6508566 0.86 ALDH1A1 (0.38) MAPTKMT2APOLBALDH1A1HPGD
SCHEMBL6508814 0.84 ATF1 (0.30)
SCHEMBL6503874 0.84 KMT2A (0.36) KMT2AALDH1A1HPGD
SCHEMBL6508683 0.84 SSTR3 (0.31)
SCHEMBL6499218 0.84 LMNA (0.35) KMT2AALDH1A1HPGDNPSR1GAA
SCHEMBL6501528 0.83 L3MBTL1 (0.36) MAPTNPSR1LMNATP53
SCHEMBL6506960 0.82 CES2 (0.34)
SCHEMBL6506058 0.82 SCN8A (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 MAPT 3607/4885KMT2A 3213/4885POLB 1038/4885

“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.