SCHEMBL4881018

SCHEMBL4881018

C=CCN(C)c1cccc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
UNG P13051 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
LSS P48449 2/20 0.40
PTPN1 P18031 2/20 0.40
FOLH1 Q04609 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KLF5 Q13887 1/20 0.39

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
SCHEMBL28310217 0.86 PPARA (0.47) PPARAKMT2AL3MBTL1UNGCA12
SCHEMBL876064 0.84 PTPN1 (0.49) TSHRKMT2AL3MBTL1UNGCA12
SCHEMBL4876996 0.81 LMNA (0.48) TSHRKMT2ACA12CA1CA2
SCHEMBL8611414 0.81 DHFR (0.39) TSHRKMT2AL3MBTL1MEN1
SCHEMBL1574123 0.80 PPARA (0.50) PPARATSHRKMT2AL3MBTL1CA12
SCHEMBL3199224 0.78 MEN1 (0.58) TSHRKMT2AUNGCA12CA1
SCHEMBL8613693 0.77 ALDH1A1 (0.55) TSHRCA12CA2CA9
SCHEMBL20341157 0.76 HPGD (0.59) TSHRKMT2AL3MBTL1LSSMEN1
SCHEMBL18229115 0.76 BTK (0.42) PPARAKMT2AL3MBTL1UNGCA12
SCHEMBL28508093 0.76 PPARA (0.47) PPARAKMT2AL3MBTL1CA12CA1

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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP PPARA 3720/4885TSHR 4686/4885KMT2A 3447/4885

“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.