SCHEMBL3859945

SCHEMBL3859945

CCCOc1cc(C(=O)O)cc(C(=O)N(C)CCC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.54
KMT2A Q03164 2/20 0.52
NR1H4 Q96RI1 1/20 0.42
DRD2 P14416 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
PLA2G4B P0C869 3/20 0.39
BLM P54132 1/20 0.39
HCAR3 P49019 2/20 0.38
MEN1 O00255 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL5155253 0.92 PLA2G2A (0.47) PLA2G2AKMT2ANR1H4DRD2TP53
SCHEMBL3854271 0.86 HCAR3 (0.44) PLA2G2AKMT2ARAB9AHCAR3MEN1
SCHEMBL17109507 0.84 PLA2G2A (0.71) PLA2G2AKMT2ANR1H4TP53TSHR
SCHEMBL3853305 0.82 KMT2A (0.44) PLA2G2AKMT2AHCAR3RARB
SCHEMBL23352165 0.81 PLA2G2A (0.77) PLA2G2AKMT2ANR1H4TP53TSHR
SCHEMBL3853571 0.81 HTT (0.40) PLA2G2AKMT2ATSHRHCAR3
SCHEMBL3855652 0.80 HCAR3 (0.40) PLA2G2AKMT2ARAB9AHCAR3MEN1
SCHEMBL13306259 0.80 TPMT (0.52) KMT2ARAB9AHCAR3MEN1
SCHEMBL3854441 0.79 TPMT (0.50) KMT2ARAB9AHCAR3MEN1
SCHEMBL3860120 0.79 TPMT (0.40) PLA2G2AKMT2ARAB9AHCAR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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 (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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP PLA2G2A 3061/4885KMT2A 619/4885NR1H4 1354/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 PLA2G2A 3456/4885KMT2A 2934/4885NR1H4 3310/4885

“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.