SCHEMBL12663151

SCHEMBL12663151

COC(=O)c1ccc2sc(C(=O)CO)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.55
ACHE P22303 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CLK1 P49759 5/20 0.42
DYRK1A Q13627 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL15697489 0.86 HDAC1 (0.61) HDAC1MEN1MAPTKMT2ACLK1
SCHEMBL1883961 0.85 HDAC1 (0.60) HDAC1MEN1MAPTKMT2ACLK1
SCHEMBL9612670 0.84 CLK1 (0.59) HDAC1MEN1MAPTKMT2ACLK1
SCHEMBL12673289 0.82 HDAC1 (0.78) HDAC1
SCHEMBL9612671 0.82 HDAC1 (0.53) HDAC1MEN1MAPTKMT2ACA12
SCHEMBL12663050 0.81 HDAC1 (0.63) HDAC1MEN1MAPTKMT2ACLK1
SCHEMBL1887657 0.80 HDAC1 (0.55) HDAC1MEN1MAPTKMT2ACLK1
SCHEMBL13709551 0.80 F9 (0.56) HDAC1LCK
SCHEMBL2261109 0.79 CYP2A6 (0.47) HDAC1MEN1MAPTKMT2APIK3CA
SCHEMBL9431275 0.78 DYRK1A (0.51) HDAC1MEN1MAPTKMT2ACLK1

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-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 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-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives BRDT, TXN, TXNRD2 HDAC1 9/4885ACHE 2249/4885MEN1 4040/4885

“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.