SCHEMBL2734876

SCHEMBL2734876

C=CCNc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCCCC)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.44
HDAC1 Q13547 5/20 0.41
POLB P06746 2/20 0.38
ADCY2 Q08462 1/20 0.35
CDK1 P06493 1/20 0.34
CTSL P07711 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CACNA1B Q00975 1/20 0.34
HDAC2 Q92769 3/20 0.34
HPRT1 P00492 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL14625094 1.00 SERPINA3 (0.44) SERPINA3HDAC1POLBADCY2CDK1
SCHEMBL14625132 0.95 SERPINA3 (0.45) SERPINA3HDAC1POLBADCY2CDK1
SCHEMBL2734879 0.95 SERPINA3 (0.45) SERPINA3HDAC1POLBADCY2CDK1
SCHEMBL2734878 0.94 HDAC1 (0.41) SERPINA3HDAC1POLBCDK1CTSL
SCHEMBL14621502 0.94 HDAC1 (0.41) SERPINA3HDAC1POLBCDK1CTSL
SCHEMBL14621730 0.93 SERPINA3 (0.43) SERPINA3HDAC1ADCY2CDK1CTSL
SCHEMBL14621983 0.92 SERPINA3 (0.46) SERPINA3HDAC1POLBADCY2CDK1
SCHEMBL2734868 0.92 SERPINA3 (0.46) SERPINA3HDAC1POLBADCY2CDK1
SCHEMBL14621917 0.92 SERPINA3 (0.46) SERPINA3HDAC1POLBADCY2CDK1
SCHEMBL12339272 0.92 SERPINA3 (0.46) SERPINA3HDAC1POLBADCY2CDK1

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-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO 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 (2 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-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 SERPINA3 1896/4885HDAC1 1229/4885POLB 82/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 SERPINA3 1896/4885HDAC1 1229/4885POLB 82/4885

“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.