SCHEMBL2522401

SCHEMBL2522401

CCOC(=O)c1nc2n(c(=O)c1O)CCOCC21CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
PIK3CA P42336 1/20 0.34
TSHR P16473 2/20 0.34
MTOR P42345 7/20 0.34
ALOX15 P16050 2/20 0.33
SLC2A1 P11166 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2525991 0.94 KDM4E (0.36) ALDH1A1L3MBTL1KDM4ERXFP1PIK3CA
SCHEMBL1170500 0.94 KDM4E (0.36) ALDH1A1L3MBTL1KDM4ERXFP1PIK3CA
SCHEMBL1169659 0.88 KDM4E (0.36) ALDH1A1L3MBTL1KDM4ERXFP1PIK3CA
SCHEMBL1169977 0.86 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4ERXFP1PIK3CA
SCHEMBL12864848 0.84 L3MBTL1 (0.35) ALDH1A1L3MBTL1KDM4ERXFP1ALOX15
SCHEMBL12778062 0.84 L3MBTL1 (0.39) ALDH1A1L3MBTL1KDM4ERXFP1PIK3CA
SCHEMBL12777203 0.82 MEN1 (0.45) ALDH1A1L3MBTL1KDM4EALOX15RAB9A
SCHEMBL14064612 0.82 KDM4E (0.37) ALDH1A1L3MBTL1KDM4EALOX15RAB9A
SCHEMBL2525820 0.80 MTOR (0.42) ALDH1A1L3MBTL1KDM4ERXFP1MTOR
SCHEMBL14064643 0.80 KDM4E (0.35) ALDH1A1L3MBTL1KDM4ERXFP1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 ALDH1A1 348/4885L3MBTL1 2458/4885KDM4E 701/4885

“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.