SCHEMBL13196121

SCHEMBL13196121

CCCNC(=O)c1ccccc1SS

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ HPGD P15428 6/20 0.60
▸ TSHR P16473 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 3/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ POLB P06746 1/20 0.48
▸ NAAA Q02083 1/20 0.48
▸ HCRTR1 O43613 1/20 0.46

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
SCHEMBL17371329 0.81 GAA (0.59) GAAALDH1A1HPGDTSHRHTT
SCHEMBL11752618 0.81 ALDH1A1 (0.59) GAAALDH1A1HPGDTSHRHTT
SCHEMBL13622072 0.80 GAA (0.58) GAAALDH1A1HPGDTSHRHTT
SCHEMBL12657060 0.80 ALDH1A1 (0.58) GAAALDH1A1HPGDTSHRHTT
SCHEMBL166777 0.80 TSHR (0.62) GAAALDH1A1HPGDTSHRHTT
SCHEMBL8569757 0.79 KEAP1 (0.50) GAAALDH1A1HPGDKMT2AHSD17B10
SCHEMBL11341066 0.77 TSHR (0.75) GAAALDH1A1HPGDTSHRHTT
SCHEMBL1387769 0.77 TSHR (0.75) GAAALDH1A1HPGDTSHRHTT
SCHEMBL30593956 0.77 TSHR (0.75) GAAALDH1A1HPGDTSHRHTT
SCHEMBL12313326 0.77 GAA (0.54) GAAALDH1A1HPGDTSHRHTT

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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 — — 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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B GAA 823/4885ALDH1A1 4394/4885HPGD 3481/4885

“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.

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