SCHEMBL52317

SCHEMBL52317

CCOC(=O)/C=C(/O/N=C(\N)C(C1CCC(CO)C1)N(C)C(=O)OCc1ccccc1)C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
ABCB1 P08183 1/20 0.31
LGMN Q99538 1/20 0.31
CCR5 P51681 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL52319 1.00 ITGB3 (0.33) ITGB3ITGA2BL3MBTL1SIGMAR1ABCB1
SCHEMBL52318 1.00 ITGB3 (0.33) ITGB3ITGA2BL3MBTL1SIGMAR1ABCB1
SCHEMBL51870 0.81 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1ABCB1CTSL
SCHEMBL51871 0.81 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1ABCB1CTSL
SCHEMBL1117764 0.76 ITGB3 (0.32) ITGB3ITGA2BL3MBTL1SIGMAR1
SCHEMBL63846 0.71 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1ABCB1CTSL
SCHEMBL52324 0.69 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1ABCB1CCR5
SCHEMBL52478 0.69 CYP3A4 (0.37) LGMNCTSLCTSB
SCHEMBL13924823 0.68 NR1H4 (0.49) L3MBTL1
SCHEMBL25182319 0.67 ABCB1 (0.48) ITGB3ITGA2BL3MBTL1SIGMAR1ABCB1

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 8 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
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
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
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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 ITGB3 2078/4885ITGA2B 1968/4885L3MBTL1 2276/4885

“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.