SCHEMBL5899592

SCHEMBL5899592

CCCS(=O)(=O)NCC(=O)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
GSK3B P49841 1/20 0.49
HSD11B1 P28845 1/20 0.47

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
SCHEMBL5899545 0.89 CA1 (0.55) MMP8MMP12MMP13CA1CA2
SCHEMBL7983702 0.79 CA1 (0.57) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL7674553 0.77 HSD11B1 (0.57) MMP8MMP12MMP13CA1CA2
SCHEMBL5899494 0.76 ALDH1A1 (0.59) CA1CA2CA12CA9ALDH1A1
SCHEMBL1493676 0.75 HTT (0.59) MMP8MMP12MMP13CA1CA2
SCHEMBL10770945 0.75 HDAC3 (0.54) CA1CA2CA12CA9HDAC3
SCHEMBL5899460 0.75 TSHR (0.61) CA1CA2CA12CA9HDAC3
SCHEMBL24443525 0.74 HDAC3 (0.58) CA1CA2CA12CA9HDAC3
SCHEMBL3852945 0.74 HDAC3 (0.61) CA1CA2CA12CA9HDAC3
SCHEMBL23014131 0.73 ALDH1A1 (0.57) CA1CA2CA12CA9HDAC3

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-20060025445-A1 11-Beta HSD1 inhibitors WYETH 2006-02-02 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-20060025445-A1 11-Beta HSD1 inhibitors HSD11B1, HSD11B2, HSD3B1 MMP8 1628/4885MMP12 322/4885MMP13 464/4885

“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.