SCHEMBL3853571

SCHEMBL3853571

CCCN(C)C(=O)c1cc(OC(F)F)cc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
PLA2G2A P14555 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PDK2 Q15119 1/20 0.36
KMT2A Q03164 1/20 0.35
HCAR3 P49019 4/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
ACACB O00763 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3853305 0.88 KMT2A (0.44) PLA2G2AKMT2AHCAR3ACACB
SCHEMBL3855535 0.87 LMNA (0.41) HTTPDK2POLBLMNAACACB
SCHEMBL3854271 0.84 HCAR3 (0.44) PLA2G2APDK2KMT2AHCAR3ACACB
SCHEMBL3861827 0.82 PDK2 (0.38) PLA2G2AMRGPRX4PDK2KMT2AHCAR3
SCHEMBL5158669 0.81 LMNA (0.39) PLA2G2AKMT2ALMNAACACBMAPT
SCHEMBL3859945 0.81 PLA2G2A (0.54) PLA2G2AKMT2AHCAR3TSHR
SCHEMBL5158662 0.80 CYP2C9 (0.42) PLA2G2AKMT2AMAPT
SCHEMBL27893362 0.79 MRGPRX4 (0.47) PLA2G2AMRGPRX4KMT2ALMNAATM
SCHEMBL13306259 0.78 TPMT (0.52) PDK2KMT2AHCAR3
SCHEMBL3855652 0.78 HCAR3 (0.40) PLA2G2APDK2KMT2AHCAR3ACACB

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-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108391-A1 AMIDES 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 HTT 2451/4885PLA2G2A 3061/4885MRGPRX4 2474/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HTT 1371/4885PLA2G2A 3456/4885MRGPRX4 3064/4885

“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.