SCHEMBL2079819

SCHEMBL2079819

CCOC(=O)c1nc(C2(OCCO)CCN(C(=O)N(C)C)CC2)[nH]c(=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
RNASEH1 O60930 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
SCHEMBL2080125 0.88 CYP3A4 (0.35) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14064602 0.87 KDM4E (0.38) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL2079609 0.85 GAA (0.38) ALDH1A1MEN1KMT2AGAA
SCHEMBL1170226 0.85 LMNA (0.36) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL12864836 0.85 LMNA (0.36) MAPTALDH1A1KDM4EMEN1ALOX15
SCHEMBL2079178 0.84 ALDH1A1 (0.34) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2080920 0.84 ALDH1A1 (0.39) MAPTALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL1169665 0.82 KDM4E (0.34) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1169995 0.79 LMNA (0.35) MAPTALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL2080717 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E

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 7 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
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 MAPT 3231/4885ALDH1A1 301/4885CYP3A4 472/4885

“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.