Sugi Predict

Sugi Predict / Compounds / SCHEMBL6077367

SCHEMBL6077367

SCHEMBL6077367

CNC(=O)c1ccc(CN(OC)C(=O)/C=C2\OC(C)(C)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PLK1 P53350 5/20 0.37
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL6077370 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1PLK1HTTSMN1; SMN2
SCHEMBL6077845 0.89 LOXL2 (0.38) ALDH1A1L3MBTL1SMN1; SMN2HPGDTSHR
SCHEMBL6077839 0.89 LOXL2 (0.38) ALDH1A1L3MBTL1SMN1; SMN2HPGDTSHR
SCHEMBL6450808 0.88 TAS2R14 (0.37) ALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL6077334 0.85 POLB (0.34) ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL6879078 0.85 POLB (0.34) ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL6879189 0.85 NPSR1 (0.36) ALDH1A1L3MBTL1NPSR1
SCHEMBL6877621 0.84 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTSMN1; SMN2MEN1
SCHEMBL6077514 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL6077491 0.84 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTSMN1; SMN2MEN1

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 5 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-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 — — 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
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 — — 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 (2 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 ALDH1A1 563/4885L3MBTL1 2246/4885PLK1 1002/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 ALDH1A1 976/4885L3MBTL1 480/4885PLK1 511/4885

“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.