SCHEMBL10247815

SCHEMBL10247815

CCC(C)c1ccc(-c2ccccc2)cc1[S+](C)[O-]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS2 P35354 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.31
CYP17A1 P05093 1/20 0.31
ADAMTS4 O75173 2/20 0.31
CYP1A2 P05177 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL15577018 0.84 RXRA (0.35) PTGS2
SCHEMBL10192324 0.79 MMP1 (0.32) NPC1RAB9APTGS2MAPTADAMTS4
SCHEMBL10246532 0.79 TSHR (0.52) TSHR
SCHEMBL11840980 0.75 PTGS2 (0.39) PTGS2FFAR1MAPTADAMTS4CYP1A2
SCHEMBL11840724 0.74 PTGS2 (0.38) TSHRPTGS2FFAR1MAPTADAMTS4
SCHEMBL28186860 0.71
SCHEMBL11841177 0.70 MGLL (0.41) NPC1RAB9APPARA
SCHEMBL19705372 0.67 TSHR (0.50) TSHR
SCHEMBL3628638 0.67 GRIA4 (0.51) TSHRPTGS2CYP17A1
SCHEMBL16687011 0.67 GRIA4 (0.51) TSHRPTGS2CYP17A1

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 4051/4885NPC1 815/4885RAB9A 294/4885

“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.