SCHEMBL4877059

SCHEMBL4877059

C=CCN(C(=O)OCc1ccccc1)c1cc(C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SERPINE1 P05121 3/20 0.39
NNMT P40261 1/20 0.39
MRGPRX4 Q96LA9 5/20 0.39
NR4A2 P43354 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
MGLL Q99685 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL4872892 0.90 RAB9A (0.42) MEN1KMT2ASERPINE1NNMTMRGPRX4
SCHEMBL2526958 0.84 ALDH1A1 (0.41) MEN1KMT2ANR4A2ALDH1A1HTT
SCHEMBL2528124 0.82 TSHR (0.49) MEN1KMT2AMRGPRX4NR4A2ALDH1A1
SCHEMBL2530897 0.82 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL2526914 0.82 TSHR (0.41) MEN1KMT2AMRGPRX4ALDH1A1HTT
SCHEMBL5346410 0.81 NNMT (0.42) MEN1KMT2ASERPINE1NNMTMRGPRX4
SCHEMBL4874179 0.81 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL4874436 0.80 CCR5 (0.41) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL8593724 0.79 HCAR2 (0.41) MEN1KMT2AALDH1A1MGLLMAPT
SCHEMBL4872653 0.79 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HTTMAPT

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 MEN1 306/4885KMT2A 3447/4885SERPINE1 1005/4885

“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.