SCHEMBL85989

SCHEMBL85989

CC1OC(c2nc3n(c(=O)c2O)CC2CCC3(NC(=O)OCc3ccccc3)CC2)O1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.34
CTSS P25774 5/20 0.33
CTSL P07711 5/20 0.33
CTSB P07858 4/20 0.33
CTSK P43235 6/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD11B1 P28845 1/20 0.33
PREP P48147 1/20 0.32
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PPIA P62937 1/20 0.32

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
SCHEMBL13691651 0.89 CTSK (0.33) RORCCTSSCTSLCTSBCTSK
SCHEMBL13691428 0.88 RORC (0.34) RORCCTSSCTSLCTSBCTSK
SCHEMBL9921563 0.87 TLR2 (0.35) RORCCTSSCTSLCTSBCTSK
SCHEMBL52246 0.82 HPGD (0.37) RORCCTSSCTSLCTSBCTSK
SCHEMBL14214194 0.77 TSHR (0.38) RORCCTSSCTSLCTSBCTSK
SCHEMBL63621 0.77 ROCK2 (0.38) RORCCTSSCTSLCTSBCTSK
SCHEMBL9905103 0.77 RORC (0.36) RORCCTSSCTSLCTSBCTSK
SCHEMBL62281 0.76 KCNH2 (0.42) ALDH1A1
SCHEMBL9905086 0.75 HPGD (0.39) RORCADORA2AADORA1
SCHEMBL14214193 0.75 TSHR (0.36) RORCCTSSCTSLCTSBCTSK

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-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
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 RORC 1817/4885CTSS 3030/4885CTSL 3453/4885

“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.