SCHEMBL2079103

SCHEMBL2079103

CCOC(=O)c1nc2n(c(=O)c1OS(C)(=O)=O)CCOC21CCN(C(=O)N(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL14064603 0.90 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL12776772 0.89 L3MBTL1 (0.35) L3MBTL1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1169867 0.88 L3MBTL1 (0.38) L3MBTL1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL2079661 0.88 GAA (0.36) L3MBTL1ALDH1A1
SCHEMBL1169753 0.87 L3MBTL1 (0.41) L3MBTL1ALDH1A1
SCHEMBL12844616 0.87 MAPT (0.32) MAPT
SCHEMBL2080105 0.86 MAPT (0.34) L3MBTL1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL2077750 0.79 TSHR (0.38) MAPTALDH1A1
SCHEMBL2079105 0.77 CYP3A4 (0.33) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4823083 0.76 L3MBTL1 (0.35) L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 US disclosed
WO-2007143446-A1 SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-13 WO disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 US disclosed
US-20070281917-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-06 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-20070281917-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 L3MBTL1 2696/4885MAPT 3231/4885ALDH1A1 301/4885

“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.