SCHEMBL2080700

SCHEMBL2080700

CCOC(=O)c1nc(C2(NC(=O)OCc3ccccc3)CCN(C(=O)OCc3ccccc3)CC2)[nH]c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.42
ENPP2 Q13822 2/20 0.41
ATXN2 Q99700 2/20 0.41
ACACB O00763 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP2C19 P33261 1/20 0.38
GRIN2B Q13224 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GRM5 P41594 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2079825 0.88 ENPP2 (0.40) ENPP2ATXN2ACACBHDAC3HDAC1
SCHEMBL52441 0.88 RNASEH1 (0.45) RNASEH1TNKSTNKS2SMN1; SMN2MEN1
SCHEMBL63358 0.86 RNASEH1 (0.43) RNASEH1KMT2ANPC1RAB9A
SCHEMBL63444 0.86 RNASEH1 (0.43) RNASEH1TNKSTNKS2MEN1KMT2A
SCHEMBL51972 0.85 RNASEH1 (0.42) RNASEH1TNKSTNKS2MEN1KMT2A
SCHEMBL9942868 0.85 RNASEH1 (0.42) RNASEH1TNKSTNKS2SMN1; SMN2MEN1
SCHEMBL51895 0.85 RNASEH1 (0.42) RNASEH1KMT2AALDH1A1GAANPC1
SCHEMBL63522 0.84 RNASEH1 (0.41) RNASEH1KMT2ANPC1RAB9A
SCHEMBL13691480 0.84 RNASEH1 (0.43) RNASEH1TNKSTNKS2SMN1; SMN2MEN1
SCHEMBL2077737 0.84 ENPP2 (0.42) RNASEH1ENPP2ATXN2ACACBHDAC3

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
US-7897593-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-01 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
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 RNASEH1 867/4885ENPP2 3976/4885ATXN2 3735/4885

“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.