SCHEMBL842503

SCHEMBL842503

CC(C)[C@@H]1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.45
CTSL P07711 1/20 0.44
KLK7 P49862 3/20 0.42
KLK5 Q9Y337 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
STS P08842 1/20 0.40
ELANE P08246 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
SCHEMBL14408099 1.00 FKBP1A (0.45) FKBP1ACTSLKLK7KLK5GPR119
SCHEMBL31486499 0.89 CTSL (0.44) FKBP1ACTSLKLK7KLK5STS
SCHEMBL9198129 0.88 FKBP1A (0.45) FKBP1ACTSLKLK7STS
SCHEMBL31107722 0.88 FKBP1A (0.45) FKBP1ACTSLKLK7STS
SCHEMBL31486416 0.86 FKBP1A (0.45) FKBP1ACTSLKLK7
SCHEMBL31486292 0.86 FKBP1A (0.45) FKBP1ACTSLKLK7
SCHEMBL22446555 0.84 KLK7 (0.45) FKBP1ACTSLKLK7KLK5
SCHEMBL31486301 0.84 FKBP1A (0.44) FKBP1ACTSLKLK7KLK5
SCHEMBL12643706 0.84 KLK7 (0.45) FKBP1ACTSLKLK7KLK5
SCHEMBL31107821 0.84 FKBP1A (0.44) FKBP1ACTSLKLK7ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143416-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143416-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-7910774-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2011-03-22 US disclosed
US-7910774-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2011-03-22 US disclosed
EP-1789377-B1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2010-10-20 EP disclosed
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2007-09-06 US disclosed
WO-2006024501-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2006-03-09 WO 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-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF REN, ACE, AGT FKBP1A 3655/4885CTSL 58/4885KLK7 190/4885
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF REN, ACE, AGT FKBP1A 3708/4885CTSL 54/4885KLK7 184/4885

“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.