SCHEMBL5820682

SCHEMBL5820682

CCCCCCCCCCCCCCCC(=O)Oc1c2c(c(OC(=O)CCCCCCCCCCCCCCC)c3nccnc13)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
CMA1 P23946 1/20 0.45
KMT2A Q03164 5/20 0.43
PKM P14618 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 4/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
PDE5A O76074 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6101454 0.95 HPGD (0.42) HPGDCMA1KMT2APKMTSHR
SCHEMBL6101780 0.84 HPGD (0.44) HPGDCMA1KMT2APKMTSHR
SCHEMBL6101072 0.83 CDC25B (0.41) KMT2ATSHRSMN1; SMN2MAPT
SCHEMBL6101728 0.82 CDC25B (0.39) KMT2ATSHRSMN1; SMN2MAPT
SCHEMBL5806753 0.80 CDC25B (0.38) KMT2ASMN1; SMN2MAPT
SCHEMBL5794020 0.79 CDC25B (0.37) KMT2ATSHRSMN1; SMN2MAPT
SCHEMBL6102070 0.73 HPGD (0.45) HPGDCMA1KMT2APKMTSHR
SCHEMBL6098751 0.73 HPGD (0.46) HPGDCMA1KMT2APKMTSHR
SCHEMBL6101296 0.73 PKM (0.47) HPGDCMA1KMT2APKMTSHR
SCHEMBL6101523 0.71 HPGD (0.44) HPGDCMA1KMT2APKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 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 (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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 HPGD 347/4885CMA1 2557/4885KMT2A 1121/4885

“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.