SCHEMBL7734563

SCHEMBL7734563

CC(C)(C)OC(=O)N1CC2CCCCC2[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ACE P12821 1/20 0.40
PREP P48147 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.35
BTK Q06187 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
SCHEMBL4304006 1.00 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2EPHX1
SCHEMBL7257268 1.00 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2EPHX1
SCHEMBL6480541 1.00 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2EPHX1
SCHEMBL6480535 1.00 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2EPHX1
SCHEMBL4304003 1.00 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2EPHX1
SCHEMBL24113253 1.00 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2EPHX1
SCHEMBL15184282 0.97 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2NR1H2
SCHEMBL19205208 0.97 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2NR1H2
SCHEMBL2966911 0.97 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2NR1H2
SCHEMBL6346470 0.97 HSD17B10 (0.42) HSD17B10ACEPREPSMN1; SMN2NR1H2

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
US-20090069376-A1 VLA-4 Antagonists MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090069376-A1 VLA-4 Antagonists MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
WO-2006115918-A2 VLA-4 ANTAGONISTS MERCK & CO., INC. (US) 2006-11-02 WO disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 US disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 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-20090069376-A1 VLA-4 Antagonists VCAM1, SELPLG, ITGB4 HSD17B10 4654/4885ACE 3290/4885PREP 351/4885

“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.