SCHEMBL6077995

SCHEMBL6077995

O=C(O)C1=C(O)C(=O)N(CCF)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 19/20 0.36
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL6077439 0.86 LIPG (0.35) LIPGKDM4EALOX15TSHRSIRT1
SCHEMBL6077032 0.84 PARP1 (0.38) LIPGKDM4EALOX15TSHRSIRT1
SCHEMBL6076616 0.79 L3MBTL1 (0.37) LIPG
SCHEMBL6076712 0.79 L3MBTL1 (0.38) LIPGKDM4EALOX15TSHRSIRT1
SCHEMBL6078249 0.78 PARP1 (0.45) LIPG
SCHEMBL6077541 0.78 LIPG (0.48) LIPG
SCHEMBL6077755 0.78 LIPG (0.49) LIPGALOX15
SCHEMBL6077545 0.77 LIPG (0.38) LIPG
SCHEMBL27702749 0.77 LIPG (0.44) LIPGKDM4E
SCHEMBL27723352 0.77 LIPG (0.44) LIPGKDM4E

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-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF LIPG 2895/4885KDM4E 702/4885ALOX15 3151/4885

“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.