SCHEMBL8265154

SCHEMBL8265154

COc1cc(-c2ccccc2)cc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.50
TACR1 P25103 1/20 0.49
PDE4B Q07343 4/20 0.48
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
ABL2 P42684 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MGAT2 Q10469 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL13617939 1.00 USP30 (0.50) USP30TACR1PDE4BABL1EGFR
SCHEMBL8263919 0.90 TACR1 (0.47) USP30TACR1PDE4BABL1EGFR
SCHEMBL10184041 0.90 TACR1 (0.47) USP30TACR1PDE4BABL1EGFR
SCHEMBL8263747 0.88 USP30 (0.52) USP30TACR1PDE4BABL1EGFR
SCHEMBL10184205 0.88 USP30 (0.52) USP30TACR1PDE4BABL1EGFR
SCHEMBL8265031 0.87 TACR1 (0.55) USP30TACR1PDE4BEGFRSRC
SCHEMBL2239759 0.87 TACR1 (0.55) USP30TACR1PDE4BEGFRSRC
SCHEMBL2245296 0.87 TACR1 (0.55) USP30TACR1PDE4BEGFRSRC
SCHEMBL12054657 0.87 TACR1 (0.55) USP30TACR1PDE4BEGFRSRC
SCHEMBL13617897 0.87 TACR1 (0.55) USP30TACR1PDE4BEGFRSRC

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-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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-20110263560-A1 Organic Compounds REN, ACE, OTC USP30 3528/4885TACR1 433/4885PDE4B 457/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO USP30 3470/4885TACR1 475/4885PDE4B 543/4885

“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.