SCHEMBL629635

SCHEMBL629635

COC(=O)c1cc2cc(OCC(=O)OC(C)(C)C)ccc2cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL629914 0.81 MEN1 (0.44) SMN1; SMN2MAPTLMNAHPGDMAOA
SCHEMBL21200606 0.80 LCK (0.44) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL22789770 0.78 HTT (0.48) SMN1; SMN2PTGS2HPGDKDM4EALDH1A1
SCHEMBL5697665 0.77 PTPN7 (0.61) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL4176477 0.77 SCN9A (0.44) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL12641829 0.77 NPC1 (0.54) MAPK1NPC1LMNACA12CA1
SCHEMBL2964316 0.77 NPC1 (0.54) MAPK1NPC1LMNACA12CA1
SCHEMBL26691695 0.76 MAPT (0.50) NPC1PSEN1PSEN2APH1BNCSTN
SCHEMBL18286157 0.76 KMT2A (0.47) SMN1; SMN2NPC1PSEN1PSEN2APH1B
SCHEMBL5336493 0.75 MAOB (0.61) SMN1; SMN2NPC1MAPTLMNAHPGD

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
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC SMN1; SMN2 1966/4885TP53 566/4885MAPK1 800/4885

“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.