SCHEMBL10246532

SCHEMBL10246532

CCC(C)c1ccccc1[S+](C)[O-]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ATM Q13315 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
RORC P51449 1/20 0.33
HSP90AA1 P07900 2/20 0.30
HSP90AB1 P08238 2/20 0.30

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
SCHEMBL19705372 0.83 TSHR (0.50) TSHRKDM4EL3MBTL1GABRA1GABRB2
SCHEMBL13712973 0.79 GABRA1 (0.43) TSHRL3MBTL1GABRA1GABRB2
SCHEMBL16114533 0.79 LMNA (0.44) TSHR
SCHEMBL10247815 0.79 TSHR (0.39) TSHR
SCHEMBL994607 0.76 TSHR (0.73) TSHRKDM4EL3MBTL1GABRA1GABRB2
SCHEMBL10192283 0.73
Hydrogen Peroxide SCHEMBL3675725 0.72 TSHR (0.74) TSHRKDM4EL3MBTL1GABRA1GABRB2
SCHEMBL10246341 0.72 TSHR (0.31) TSHR
SCHEMBL9204533 0.71 TSHR (0.59) TSHRKDM4EL3MBTL1GABRA1GABRB2
SCHEMBL944816 0.70 TSHR (0.64) TSHRKDM4EL3MBTL1GABRA1GABRB2

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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 TSHR 4051/4885KDM4E 1764/4885L3MBTL1 2494/4885

“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.