SCHEMBL970440

SCHEMBL970440

C=CCC(O)CC(=O)c1ccc(F)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
MAOB P27338 1/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
KMO O15229 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
PGR P06401 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADRB3 P13945 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL18192902 0.79 CES2 (0.31)
SCHEMBL932681 0.77 PARP1 (0.44) HPGDNPC1KMT2ASMN1; SMN2MAPT
SCHEMBL18192888 0.75 APLNR (0.35) HPGDMAOB
SCHEMBL18192896 0.73 KDM4E (0.37) HPGDMAOBRAB9ANPC1PGR
SCHEMBL10711473 0.72 TSHR (0.52) HPGDNPC1KMT2ASMN1; SMN2NPSR1
SCHEMBL246840 0.72 ACHE (0.42) MAOBRAB9ANPC1PGR
SCHEMBL31149832 0.72 PTPN1 (0.57) MAOBRAB9ANPC1
SCHEMBL28037289 0.72 CES2 (0.41) HPGDMAOBRAB9ANPC1PGR
SCHEMBL3162903 0.72 PTPN1 (0.57) MAOBRAB9ANPC1
SCHEMBL966869 0.71 ADRB1 (0.34) ADRB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US 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 (2 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP HPGD 2727/4885MAOB 323/4885RAB9A 1341/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP HPGD 2727/4885MAOB 323/4885RAB9A 1341/4885

“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.