SCHEMBL24673803

SCHEMBL24673803

COC(=O)c1ccc2sc(S)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
LCK P06239 1/20 0.45
HTT P42858 3/20 0.44
ALOX15 P16050 2/20 0.44
PTPN11 Q06124 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43

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
SCHEMBL31095469 0.84 HDAC1 (0.52) HDAC1CA1CA2CA12CA7
SCHEMBL15697489 0.82 HDAC1 (0.61) HDAC1CA1CA2CA12CA7
SCHEMBL19029299 0.82 HDAC1 (0.50) HDAC1CA1CA2CA12CA7
SCHEMBL6299396 0.82 HDAC1 (0.50) HDAC1CA1CA2CA12CA7
SCHEMBL1883961 0.81 HDAC1 (0.60) HDAC1CA1CA2CA12CA7
SCHEMBL18936014 0.81 HDAC1 (0.49) HDAC1CA1CA2CA12CA7
SCHEMBL9612670 0.79 CLK1 (0.59) HDAC1CA1CA2CA12CA7
SCHEMBL2261109 0.78 CYP2A6 (0.47) HDAC1CA1CA2CA12CA7
SCHEMBL24673805 0.78 HDAC1 (0.47) HDAC1CA1CA2CA12CA7
SCHEMBL12365630 0.78 HDAC1 (0.47) HDAC1CA1CA2CA12CA7

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-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 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-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HDAC1 502/4885CA1 4622/4885CA2 4617/4885

“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.