SCHEMBL6076960

SCHEMBL6076960

O=C(CCN1CCOCC1)NCCN1CC(C(=O)O)=C(O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
LIPG Q9Y5X9 1/20 0.48
POLB P06746 3/20 0.44
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
GLA P06280 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6077535 0.85 LIPG (0.51) HSD17B10LIPGCYP2C19LMNAKMT2A
SCHEMBL6078915 0.81 LIPG (0.48) HSD17B10LIPGPOLBLMNAMEN1
SCHEMBL6078249 0.74 PARP1 (0.45) LIPGPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL28214151 0.72 HSD17B10 (0.66) HSD17B10POLBCYP2C19LMNAKMT2A
SCHEMBL6077393 0.72 LIPG (0.39) HSD17B10LIPGKDM4ECYP2D6ALDH1A1
SCHEMBL6077541 0.71 LIPG (0.48) LIPG
SCHEMBL24412634 0.71 HSD17B10 (0.68) HSD17B10CYP2C19LMNAMEN1KMT2A
SCHEMBL29070246 0.71 HSD17B10 (0.68) HSD17B10POLBCYP2C19LMNAMEN1
SCHEMBL6077906 0.71 LIPG (0.38) LIPGALDH1A1
SCHEMBL6078320 0.71 LIPG (0.38) LIPGPOLBLMNAKDM4ESMN1; SMN2

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 HSD17B10 233/4885LIPG 2895/4885POLB 23/4885

“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.