SCHEMBL6523696

SCHEMBL6523696

CC(C)CC(=O)N1CCC(c2nc(C(=O)N(C3CCCCC3)C3CC3)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 11/20 0.42
S1PR1 P21453 6/20 0.42
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
GAA P10253 1/20 0.37
PPARG P37231 1/20 0.36
HSD11B1 P28845 1/20 0.36
TSHR P16473 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1040263 0.89 S1PR3 (0.40) S1PR3S1PR1GAAHSD11B1TSHR
SCHEMBL1076877 0.87 S1PR3 (0.42) S1PR3S1PR1PDE4BPDE7AGAA
SCHEMBL1043678 0.86 S1PR3 (0.38) S1PR3S1PR1GAAHSD11B1TSHR
SCHEMBL1076624 0.86 S1PR3 (0.43) S1PR3S1PR1GAAHSD11B1TSHR
SCHEMBL1044955 0.85 S1PR3 (0.43) S1PR3S1PR1GAAHSD11B1TSHR
SCHEMBL1044980 0.85 S1PR3 (0.40) S1PR3S1PR1GAAHSD11B1TSHR
SCHEMBL1045157 0.85 S1PR3 (0.41) S1PR3S1PR1PDE4BGAAPPARG
SCHEMBL3454477 0.84 S1PR3 (0.43) S1PR3S1PR1GAAHSD11B1TSHR
SCHEMBL1045030 0.84 S1PR3 (0.42) S1PR3S1PR1GAAHSD11B1TSHR
SCHEMBL6527757 0.84 ALDH1A1 (0.40) S1PR3S1PR1HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US claimed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP claimed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 US claimed
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP disclosed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 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-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 HSD11B1, HSD17B1, HSD11B2 S1PR3 4823/4885S1PR1 4265/4885PDE4B 1694/4885

“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.