SCHEMBL4209295

SCHEMBL4209295

Cc1csc(C(C)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.48
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PTPRB P23467 9/20 0.40
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL876834 1.00 ABCB1 (0.48) ABCB1KMT2ATSHRHSD17B10PTPRB
SCHEMBL31146240 0.84 ABCB1 (0.45) ABCB1KMT2ATSHRHSD17B10PTPRB
SCHEMBL14019980 0.83 ABCB1 (0.52) ABCB1KMT2ATSHRHSD17B10PTPRB
SCHEMBL22154278 0.83 ABCB1 (0.52) ABCB1KMT2ATSHRHSD17B10PTPRB
SCHEMBL20532824 0.82 ABCB1 (0.56) ABCB1KMT2ATSHRHSD17B10PTPRB
SCHEMBL31146181 0.81 ABCB1 (0.44) ABCB1KMT2ATSHRHSD17B10PTPRB
SCHEMBL1058980 0.81 ABCB1 (0.73) ABCB1KMT2APTPRB
SCHEMBL27595388 0.81 ABCB1 (0.73) ABCB1KMT2APTPRB
SCHEMBL13535505 0.81 ABCB1 (0.73) ABCB1KMT2APTPRB
SCHEMBL2840468 0.80 RAB9A (0.44) KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 US disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP ABCB1 2308/4885KMT2A 3302/4885TSHR 4840/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP ABCB1 2601/4885KMT2A 3649/4885TSHR 4838/4885

“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.