SCHEMBL62169

SCHEMBL62169

CC(C)(C)[Si](OCC1CC[C@@](C#N)(NC(=O)OCc2ccccc2)CO1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.40
CTSB P07858 5/20 0.40
CTSS P25774 4/20 0.40
PREP P48147 4/20 0.37
RORC P51449 2/20 0.36
CTSK P43235 3/20 0.36
ALDH1A1 P00352 1/20 0.35
ABCB1 P08183 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL51968 1.00 CTSL (0.40) CTSLCTSBCTSSPREPRORC
SCHEMBL51969 1.00 CTSL (0.40) CTSLCTSBCTSSPREPRORC
SCHEMBL13691658 0.84 CTSB (0.39) CTSLCTSBCTSSPREPRORC
SCHEMBL86626 0.82 CTSB (0.46) CTSLCTSBCTSSPREPCTSK
SCHEMBL52527 0.82 CTSB (0.46) CTSLCTSBCTSSPREPCTSK
SCHEMBL52526 0.82 CTSB (0.46) CTSLCTSBCTSSPREPCTSK
SCHEMBL63060 0.75 BACE1 (0.35)
SCHEMBL51485 0.75 BACE1 (0.35)
SCHEMBL51483 0.75 BACE1 (0.35)
SCHEMBL87398 0.75 BACE1 (0.35)

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CTSL 3453/4885CTSB 2999/4885CTSS 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.