SCHEMBL963645

SCHEMBL963645

CO[C@H]1C[C@@H](Cc2cc(C)ccc2S(=O)(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
TP53 P04637 1/20 0.33
MCOLN3 Q8TDD5 2/20 0.32
MEP1B Q16820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 3/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
GAA P10253 4/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
HIF1A Q16665 1/20 0.31
MPL P40238 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
SCHEMBL963642 1.00 CYP2D6 (0.33) CYP2D6TP53MCOLN3MEP1BL3MBTL1
SCHEMBL21192385 0.85 MPL (0.33) CYP2D6TP53MEP1BL3MBTL1HSD17B10
SCHEMBL25340461 0.83 MPL (0.32) MEP1BL3MBTL1HSD17B10GAAKMT2A
SCHEMBL1266488 0.80 MPL (0.33) CYP2D6MEP1BL3MBTL1HSD17B10TSHR
SCHEMBL20573229 0.80 EPHX2 (0.38) CYP2D6MCOLN3SMN1; SMN2TSHRGAA
SCHEMBL3389669 0.80 EPHX2 (0.40) TP53MCOLN3SMN1; SMN2TSHRCASP1
SCHEMBL28642453 0.79 HSD11B1 (0.33) TP53MCOLN3MEP1BL3MBTL1HSD17B10
SCHEMBL1133913 0.79 TSHR (0.34) CYP2D6MCOLN3L3MBTL1HSD17B10SMN1; SMN2
SCHEMBL5725028 0.79 ALDH1A1 (0.33) CYP2D6MEP1BL3MBTL1HSD17B10TSHR
SCHEMBL17797569 0.79 LMNA (0.34) MEP1BL3MBTL1HSD17B10GAAKMT2A

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-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 CYP2D6 520/4885TP53 3122/4885MCOLN3 1539/4885

“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.