SCHEMBL4565223

SCHEMBL4565223

CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CNR2 P34972 2/20 0.38
DPP4 P27487 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 2/20 0.31
APLNR P35414 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
F10 P00742 1/20 0.30
PTPN2 P17706 1/20 0.30
CDC25B P30305 1/20 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
SCHEMBL4372039 1.00 PTPN1 (0.40) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL503441 1.00 PTPN1 (0.40) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL17255910 1.00 PTPN1 (0.40) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL15151473 1.00 PTPN1 (0.40) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL4364550 1.00 PTPN1 (0.40) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL15151497 1.00 PTPN1 (0.40) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL1313319 0.98 PTPN1 (0.39) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL12699907 0.85 ALDH1A1 (0.38) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL15151455 0.83 ALDH1A1 (0.37) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2
SCHEMBL4369317 0.83 ALDH1A1 (0.37) PTPN1ALDH1A1SMN1; SMN2HSD17B10CNR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 PTPN1 3197/4885ALDH1A1 105/4885SMN1; SMN2 3674/4885

“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.