SCHEMBL422116

SCHEMBL422116

CN(C(=O)OC(C)(C)C)C1(/C(N)=N/O/C(=C\C(=O)O)C(=O)O)CCC(COCc2ccccc2)OC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
PTPN1 P18031 1/20 0.31
KLK7 P49862 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TACR1 P25103 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
SCHEMBL421849 1.00 L3MBTL1 (0.34) L3MBTL1HTR2CSLC6A4PTPN1KLK7
SCHEMBL421850 1.00 L3MBTL1 (0.34) L3MBTL1HTR2CSLC6A4PTPN1KLK7
SCHEMBL10120963 0.86 L3MBTL1 (0.32) L3MBTL1
SCHEMBL10120771 0.74 L3MBTL1 (0.34) L3MBTL1NPSR1
SCHEMBL418551 0.72
SCHEMBL10143671 0.69
SCHEMBL10120954 0.68 ASGR1 (0.32)
SCHEMBL10120972 0.67 L3MBTL1 (0.34) L3MBTL1HTR2CSLC6A4PTPN1
SCHEMBL418381 0.65 RNASEH1 (0.41) L3MBTL1PTPN1
SCHEMBL418380 0.65 RNASEH1 (0.41) L3MBTL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 L3MBTL1 108/4885HTR2C 4813/4885SLC6A4 2729/4885

“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.