SCHEMBL857610

SCHEMBL857610

COC(=O)C(C(=O)OC)[C@H](C(=O)OC)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.75
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL857611 1.00 SMN1; SMN2 (0.75) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL11118030 0.86 SMN1; SMN2 (0.88) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL561667 0.86 SMN1; SMN2 (0.60) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL5512536 0.86 SMN1; SMN2 (0.60) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL5328441 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL5328444 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL188811 0.80 SMN1; SMN2 (0.70) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL17124702 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL19222685 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL15015776 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12CA7CA9

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 15 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-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-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
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
EP-1978012-A1 Alternative synthesis of renin inhibitors and intermediates thereof Novartis AG (CH) 2008-10-08 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
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 SMN1; SMN2 4826/4885CA14 1293/4885CA12 1437/4885
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF REN, ACE, AGT SMN1; SMN2 4833/4885CA14 1308/4885CA12 1493/4885

“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.