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SCHEMBL2080125

SCHEMBL2080125

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RNASEH1 O60930 1/20 0.34
▸ CYP2D6 P10635 4/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP2C19 P33261 6/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ USP2 O75604 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ERCC1 P07992 1/20 0.32
▸ FEN1 P39748 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
SCHEMBL14064602 0.88 KDM4E (0.38) MAPTRNASEH1LMNAPOLBL3MBTL1
SCHEMBL2079819 0.88 MAPT (0.34) CYP3A4MAPTRNASEH1CYP2C19MEN1
SCHEMBL2081516 0.86 ENPP2 (0.43) RNASEH1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL1170226 0.86 LMNA (0.36) MAPTRNASEH1LMNAPOLBCYP2C19
SCHEMBL12864836 0.86 LMNA (0.36) MAPTRNASEH1LMNAPOLBMEN1
SCHEMBL2079178 0.85 ALDH1A1 (0.34) CYP3A4MAPTRNASEH1L3MBTL1CYP2C19
SCHEMBL2080920 0.84 ALDH1A1 (0.39) CYP3A4MAPTRNASEH1CYP2D6LMNA
SCHEMBL1169665 0.83 KDM4E (0.34) CYP3A4MAPTRNASEH1LMNAPOLB
SCHEMBL2079609 0.82 GAA (0.38) MEN1KMT2AALDH1A1
SCHEMBL1169610 0.81 LMNA (0.33) MAPTRNASEH1LMNAPOLBMEN1

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 CYP3A4 472/4885MAPT 3231/4885RNASEH1 867/4885

“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.