SCHEMBL6629935

SCHEMBL6629935

CC(C)(C)C(=O)OCc1cc(F)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
PKM P14618 2/20 0.38
HPGD P15428 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
NR3C1 P04150 1/20 0.37
RIPK1 Q13546 1/20 0.37
MAOB P27338 1/20 0.37
MMP2 P08253 2/20 0.36
MMP12 P39900 2/20 0.36
MMP1 P03956 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
SCHEMBL13544214 0.84 MMP2 (0.50) L3MBTL1NPC1CASP3RAB9ASENP8
SCHEMBL30881188 0.83 ALDH1A1 (0.41) L3MBTL1RAB9AALDH1A1KDM4EPKM
SCHEMBL14448981 0.83 ALDH1A1 (0.41) L3MBTL1RAB9AALDH1A1KDM4EPKM
SCHEMBL13544370 0.81 MAOB (0.55) L3MBTL1NPC1CASP3RAB9ASENP8
SCHEMBL10263184 0.81 ALDH1A1 (0.44) L3MBTL1NPC1CASP3RAB9ASENP8
SCHEMBL29037153 0.80 GRM5 (0.42) L3MBTL1ALDH1A1PKMFFAR1FFAR4
SCHEMBL23093403 0.79 MMP2 (0.39) L3MBTL1RAB9AALDH1A1KDM4EPKM
SCHEMBL13811589 0.79 L3MBTL1 (0.54) L3MBTL1NPC1CASP3RAB9ASENP8
SCHEMBL25367109 0.78 MEN1 (0.36) L3MBTL1NPC1RAB9AMMP2MMP12
SCHEMBL13811548 0.76 MEN1 (0.47) L3MBTL1NPC1CASP3RAB9ASENP8

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
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP L3MBTL1 861/4885NPC1 204/4885CASP3 665/4885

“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.