SCHEMBL3863167

SCHEMBL3863167

CCCN(C)C(=O)c1cc(NCS(C)(=O)=O)cc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
ABCC2 Q92887 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
UGT1A7 Q9HAW7 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
NAMPT P43490 4/20 0.36
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.33
PDK2 Q15119 1/20 0.33
HCAR3 P49019 5/20 0.33
ACACB O00763 2/20 0.32
WDR5 P61964 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
SCHEMBL3855872 0.88 LMNA (0.42) MEN1KMT2ANAMPT
SCHEMBL3854271 0.82 HCAR3 (0.44) MEN1KMT2ACA12CA2RAB9A
SCHEMBL3860285 0.80 CA12 (0.43) MEN1KMT2ACA12CA2RAB9A
SCHEMBL3863169 0.77 RAB9A (0.38) MEN1KMT2ACA12CA2RAB9A
SCHEMBL3860969 0.77 CISD1 (0.33) CA12CA2RAB9ASMN1; SMN2CA9
SCHEMBL3855652 0.76 HCAR3 (0.40) MEN1KMT2ACA12CA2RAB9A
SCHEMBL13306259 0.76 TPMT (0.52) MEN1KMT2ACA12CA2RAB9A
SCHEMBL165561 0.75 ALDH1A1 (0.46) MEN1KMT2ACA12CA2SMN1; SMN2
SCHEMBL5156755 0.75 MEN1 (0.39) MEN1KMT2ACA12CA2RAB9A
SCHEMBL3854441 0.75 TPMT (0.50) MEN1KMT2ACA12CA2RAB9A

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 6 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
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 MEN1 1958/4885KMT2A 619/4885CA12 330/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 MEN1 2064/4885KMT2A 2934/4885CA12 2516/4885

“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.