SCHEMBL3859935

SCHEMBL3859935

CCC(C)Nc1cc(C(=O)O)cc(C(C)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.48
HCAR2 Q8TDS4 1/20 0.39
HIPK2 Q9H2X6 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CXCR2 P25025 1/20 0.33
GAA P10253 1/20 0.33
BACE1 P56817 1/20 0.33
MAPK14 Q16539 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK13 O15264 1/20 0.32
LCK P06239 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 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
SCHEMBL3858147 1.00 HCAR3 (0.48) HCAR3HCAR2HIPK2PTGS1PTGS2
SCHEMBL3854493 0.88 NOTUM (0.41) HCAR3PTGS1PTGS2MEN1KMT2A
SCHEMBL3854498 0.88 NOTUM (0.41) HCAR3PTGS1PTGS2MEN1KMT2A
SCHEMBL5156004 0.82 HCAR3 (0.34) HCAR3
SCHEMBL3854438 0.82 HCAR3 (0.46) HCAR3HCAR2HIPK2PTGS1PTGS2
SCHEMBL3854437 0.82 HCAR3 (0.46) HCAR3HCAR2HIPK2PTGS1PTGS2
SCHEMBL3855136 0.79 HCAR3 (0.54) HCAR3HCAR2HIPK2MEN1KMT2A
SCHEMBL3856989 0.78 HCAR3 (0.50) HCAR3HCAR2HIPK2MEN1KMT2A
SCHEMBL3856987 0.78 HCAR3 (0.50) HCAR3HCAR2HIPK2MEN1KMT2A
SCHEMBL3854032 0.77 HCAR3 (0.49) HCAR3HCAR2HIPK2MEN1KMT2A

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
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

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 HCAR3 1734/4885HCAR2 984/4885HIPK2 3718/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HCAR3 3196/4885HCAR2 2416/4885HIPK2 2607/4885

“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.