SCHEMBL6078393

SCHEMBL6078393

CS(=O)(=O)NC(=O)CCCN1CC(C(=O)O)=C(O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.50
KDM1A O60341 2/20 0.38
HCAR2 Q8TDS4 1/20 0.34
PTGER4 P35408 1/20 0.34
KCNK2 O95069 1/20 0.33
PTGES O14684 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL6076742 0.84 LIPG (0.42) LIPGHCAR2
SCHEMBL6079374 0.79 ALDH1A1 (0.38) LIPG
SCHEMBL6078405 0.78 LIPG (0.38) LIPGKDM1AHCAR2
SCHEMBL6078842 0.76 LIPG (0.38) LIPGHCAR2
SCHEMBL6077649 0.74 LIPG (0.38) LIPG
SCHEMBL6078911 0.73 KMT2A (0.42) LIPGKDM1A
SCHEMBL6077645 0.72 LIPG (0.40) LIPGKDM1APTGES
SCHEMBL6076712 0.70 L3MBTL1 (0.38) LIPG
SCHEMBL6077749 0.70 KDM4E (0.41) LIPGKDM1A
SCHEMBL6077439 0.70 LIPG (0.35) 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 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 2895/4885KDM1A 228/4885HCAR2 4469/4885

“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.