Sugi Predict

Sugi Predict / Compounds / SCHEMBL2282545

SCHEMBL2282545

SCHEMBL2282545

COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ NR4A2 P43354 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL5198009 0.87 PDK2 (0.37) RIPK1MEN1KMT2APDK2PDK4
SCHEMBL12377184 0.82 TUBB4A (0.39) KDM4ENR4A2HPGDALDH1A1NPSR1
SCHEMBL2288741 0.81 CNR1 (0.37) MEN1KMT2AKDM4ENR4A2HPGD
SCHEMBL2290536 0.77 NR4A2 (0.44) PDK2PDK4KDM4ENR4A2HPGD
SCHEMBL12377155 0.76 CCNE1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL50237 0.74 PARP1 (0.50) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL11566905 0.73 KDM4E (0.50) RIPK1MEN1KMT2AKDM4EHPGD
SCHEMBL1173615 0.72 KIF11 (0.51) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL1173684 0.71 MEN1 (0.49) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL27691022 0.71 GBA1 (0.39) PTGDRPTGDR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998951-B2 treating hepatitis C infection; 6-cyclohexyl-2,3-dihydro-5-phenyl-1,4-oxazino[2,3,4-hi]indole-9-carboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-16 — — US disclosed
US-7998951-B2 treating hepatitis C infection; 6-cyclohexyl-2,3-dihydro-5-phenyl-1,4-oxazino[2,3,4-hi]indole-9-carboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-16 — — US disclosed
US-7998951-B2 treating hepatitis C infection; 6-cyclohexyl-2,3-dihydro-5-phenyl-1,4-oxazino[2,3,4-hi]indole-9-carboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-16 — — US disclosed
WO-2008109584-A1 HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-12 — — WO disclosed
US-20080221090-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 — — US disclosed
US-20080221090-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 — — US disclosed
US-20080221090-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 — — 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-20080221090-A1 HCV NS5B Inhibitors EIF2AK2, HAVCR2, EIF5B RIPK1 3690/4885MEN1 4824/4885KMT2A 3492/4885

“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.