SCHEMBL4873953

SCHEMBL4873953

C=CCN(C(=O)OC(C)(C)C)c1cc(OC)cc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 1/20 0.33
CASR P41180 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
F2 P00734 1/20 0.32
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4878325 0.89 TSHR (0.41) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL4878980 0.81 TSHR (0.43) TSHRALDH1A1RXRAKDM4EF2
SCHEMBL2528124 0.80 TSHR (0.49) TSHRALDH1A1GAAPKMMAPT
SCHEMBL5788150 0.79 MTNR1A (0.39) TSHRALDH1A1NPSR1KDM4EPTGS1
SCHEMBL5787463 0.77 TSHR (0.38) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL5879111 0.76 S1PR1 (0.35) TSHRALDH1A1L3MBTL1
SCHEMBL15763174 0.75 GAA (0.36) TSHRALDH1A1LMNARXRACASR
SCHEMBL12481999 0.73 TACR1 (0.44) ALDH1A1RXRAPKM
SCHEMBL3395276 0.71 TSHR (0.43) TSHRNPSR1KDM4EL3MBTL1MAPT
SCHEMBL30877150 0.71 ALDH1A1 (0.47) TSHRALDH1A1LMNANPSR1KDM4E

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 TSHR 4686/4885ALDH1A1 2631/4885LMNA 2173/4885

“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.