SCHEMBL12013169

SCHEMBL12013169

CCOC(=O)C(CC(C)C)c1cc(-c2ccc(CF)cc2)cc(-c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.46
CTSK P43235 3/20 0.46
CTSS P25774 2/20 0.46
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MME P08473 1/20 0.44
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
PSMB5 P28074 3/20 0.41
MKNK1 Q9BUB5 4/20 0.40
MKNK2 Q9HBH9 4/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL478231 0.88 PSEN1 (0.58) CTSLCTSKCTSSMMP2MMP13
SCHEMBL12013296 0.83 CTSK (0.45) CTSLCTSKMMEPSEN1PSEN2
SCHEMBL478284 0.77 PSEN1 (0.65) CTSLCTSKCTSSMMP2MMP13
SCHEMBL2904663 0.74 ALDH1A1 (0.42) CTSLCTSKCTSSMMP2MMP13
SCHEMBL12013338 0.73 CTSL (0.46) CTSLCTSKCTSSPSEN1PSEN2
SCHEMBL8052525 0.73 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12013340 0.73 PSEN1 (0.37) CTSLCTSKCTSSMMEPSEN1
SCHEMBL478088 0.71 PSEN1 (0.57) CTSLCTSKPSEN1PSEN2APH1B
SCHEMBL12013297 0.71 SLC6A2 (0.39) CTSLCTSKCTSSPSEN1PSEN2
SCHEMBL7420936 0.71 CTSL (0.41) CTSLCTSKCTSSALDH1A1CTSB

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-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 CTSL 106/4885CTSK 124/4885CTSS 20/4885

“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.