SCHEMBL14359362

SCHEMBL14359362

CC(C)(C)OC(=O)N1CC(C(=O)O)CCC1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.43
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.40

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
SCHEMBL12184558 1.00 STS (0.43) STSNR1H2NR1H3JAK2JAK1
SCHEMBL13086596 0.82 KLK7 (0.49) NR1H2NR1H3
SCHEMBL3046705 0.82 KLK7 (0.49) NR1H2NR1H3
SCHEMBL2689602 0.82 KLK7 (0.49) NR1H2NR1H3
SCHEMBL2597820 0.80 KLK7 (0.41) STSNR1H2NR1H3JAK2JAK1
SCHEMBL271604 0.77 NR1H2 (0.59) STSNR1H2NR1H3JAK2JAK1
SCHEMBL273407 0.77 NR1H2 (0.59) STSNR1H2NR1H3JAK2JAK1
SCHEMBL5637318 0.77 NR1H2 (0.59) STSNR1H2NR1H3JAK2JAK1
SCHEMBL2597799 0.77 RIPK1 (0.49) NR1H2NR1H3
SCHEMBL2597852 0.76 KLK7 (0.41) NR1H2NR1H3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 US disclosed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 US disclosed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 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 (2 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP STS 608/4885NR1H2 2668/4885NR1H3 2970/4885
US-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 STS 4579/4885NR1H2 1981/4885NR1H3 3075/4885

“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.