SCHEMBL20920740

SCHEMBL20920740

c1cc2ccc(-c3cc4ccc(-c5cc6sccc6s5)cc4s3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
ESR1 P03372 8/20 0.38
ESR2 Q92731 8/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
AHR P35869 3/20 0.35
CMA1 P23946 1/20 0.35
TYR P14679 1/20 0.35
BRD4 O60885 1/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL24177393 0.91 HDAC6 (0.48) HDAC6ESR1ESR2HSD17B1HSD17B2
SCHEMBL20465965 0.91 HDAC6 (0.48) HDAC6ESR1ESR2HSD17B1HSD17B2
SCHEMBL13201332 0.79 APP (0.53) HDAC6ESR1ESR2HSD17B1HSD17B2
SCHEMBL18880097 0.73 DYRK1A (0.54) ESR1ESR2
SCHEMBL19217080 0.73 ALOX5 (0.42) HDAC6ESR1ESR2
SCHEMBL16720164 0.71 HDAC6 (0.42) HDAC6ESR1ESR2HSD17B1HSD17B2
SCHEMBL2455968 0.70 KCNH2 (0.47) AHRCMA1TYRBRD4
SCHEMBL23555405 0.70 ESR1 (0.44) ESR1ESR2
SCHEMBL4428370 0.69 GPR84 (0.45) AHRCMA1TYR
SCHEMBL20417352 0.68 APP (0.41) HDAC6HSD17B1HSD17B2BRD4

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-10266493-B2 Thioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2019-04-23 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-10266493-B2 Thioacetate compounds, compositions and methods of use TXN, TXN2, XDH HDAC6 1428/4885ESR1 3725/4885ESR2 2636/4885

“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.