SCHEMBL3855642

SCHEMBL3855642

CCOC(=O)c1cc(CO)cc(C(=O)NC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
PRKCA P17252 3/20 0.46
PRKCD Q05655 3/20 0.46
PLK1 P53350 2/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3511226 0.90 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL341606 0.88 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL29730828 0.84 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL14209370 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3349112 0.82 CYP2C19 (0.58) CA12CA1CA2CA7CA9
SCHEMBL13307492 0.81 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3926722 0.80 PLK1 (0.44) PLK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL16098497 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13307502 0.78 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL584156 0.78 NPC1 (0.66) KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 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 (1 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-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 CA12 2516/4885CA1 324/4885CA2 1070/4885

“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.