SCHEMBL6076462

SCHEMBL6076462

O=C(O)C1=C(O)C(=O)N(CCN2CC[S+]([O-])CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.37
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 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
SCHEMBL6078249 0.84 PARP1 (0.45) LIPGPARP1PARP2
SCHEMBL6077535 0.81 LIPG (0.51) LIPGPARP1PARP2
SCHEMBL6077393 0.81 LIPG (0.39) LIPGPARP1PARP2
SCHEMBL6078320 0.80 LIPG (0.38) LIPGPARP1
SCHEMBL6077906 0.80 LIPG (0.38) LIPGPARP1PARP2
SCHEMBL6077749 0.76 KDM4E (0.41) LIPGPARP1
SCHEMBL6078915 0.75 LIPG (0.48) LIPGPARP1PARP2
SCHEMBL6077032 0.74 PARP1 (0.38) LIPGPARP1PARP2
SCHEMBL6076770 0.73 KMT2A (0.53)
SCHEMBL6079318 0.73 SMN1; SMN2 (0.38) LIPGPARP1PARP2

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 2 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

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 2895/4885PARP1 65/4885PARP2 371/4885

“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.