SCHEMBL52527

SCHEMBL52527

N#C[C@@]1(NC(=O)OCc2ccccc2)CC[C@H](CO)OC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.46
CTSL P07711 3/20 0.46
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.43
PREP P48147 4/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 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
SCHEMBL86626 1.00 CTSB (0.46) CTSBCTSLCTSSCTSKPREP
SCHEMBL52526 1.00 CTSB (0.46) CTSBCTSLCTSSCTSKPREP
SCHEMBL62133 0.84 CTSS (0.49) CTSBCTSLCTSSCTSKPREP
SCHEMBL51968 0.82 CTSL (0.40) CTSBCTSLCTSSCTSKPREP
SCHEMBL62169 0.82 CTSL (0.40) CTSBCTSLCTSSCTSKPREP
SCHEMBL51969 0.82 CTSL (0.40) CTSBCTSLCTSSCTSKPREP
SCHEMBL87346 0.82 CTSL (0.47) CTSBCTSLCTSSCTSKPREP
SCHEMBL13691658 0.82 CTSB (0.39) CTSBCTSLCTSSCTSKPREP
SCHEMBL1018180 0.81 CTSL (0.57) CTSBCTSLCTSSCTSKPREP
SCHEMBL87763 0.81 CTSL (0.44) CTSBCTSLCTSSCTSKPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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 (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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CTSB 2999/4885CTSL 3453/4885CTSS 3030/4885

“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.