SCHEMBL6077852

SCHEMBL6077852

NS(=O)(=O)c1ccc(CCN2CC(C(=O)O)=C(O)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.50
CA2 P00918 18/20 0.50
CA9 Q16790 17/20 0.50
CA4 P22748 12/20 0.50
CA7 P43166 3/20 0.46
CA12 O43570 7/20 0.45
LIPG Q9Y5X9 1/20 0.44
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6078575 0.83 LIPG (0.54) LIPGKMT2A
SCHEMBL6077310 0.83 LIPG (0.56) LIPGMEN1KMT2A
SCHEMBL6077604 0.82 LIPG (0.57) LIPGMEN1KMT2A
SCHEMBL6078875 0.79 LIPG (0.45) LIPGMEN1KMT2A
SCHEMBL15918237 0.76 LIPG (0.78) LIPG
SCHEMBL6079147 0.75 LIPG (0.54) LIPG
SCHEMBL14846552 0.75 LIPG (0.58) CA1CA2CA9CA7CA12
SCHEMBL6077439 0.72 LIPG (0.35) LIPG
SCHEMBL6077032 0.70 PARP1 (0.38) LIPG
SCHEMBL6076712 0.69 L3MBTL1 (0.38) LIPG

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 CA1 4825/4885CA2 4572/4885CA9 4535/4885

“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.