SCHEMBL6076253

SCHEMBL6076253

O=C(NCc1ccc(F)c(F)c1)C1=C(O)C(=O)N(CCN2CCOCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 15/20 0.61
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL6078287 0.89 LIPG (0.61) LIPGEPHX2ALDH1A1SMN1; SMN2
SCHEMBL6077256 0.87 LIPG (0.79) LIPG
SCHEMBL6078677 0.87 LIPG (0.59) LIPGP2RX7
SCHEMBL14846160 0.76 LIPG (1.00) LIPG
SCHEMBL14846212 0.72 LIPG (0.93) LIPG
SCHEMBL765857 0.72 LIPG (0.47) LIPGEPHX2ALDH1A1
SCHEMBL6077535 0.71 LIPG (0.51) LIPGALDH1A1
SCHEMBL14846311 0.71 LIPG (0.80) LIPG
SCHEMBL14846190 0.68 LIPG (0.86) LIPG
SCHEMBL14846227 0.68 LIPG (0.73) 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 2895/4885EPHX2 3273/4885ALDH1A1 563/4885

“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.