Sugi Predict

Sugi Predict / Compounds / SCHEMBL4493381

SCHEMBL4493381

SCHEMBL4493381

CC(C)(C)C1c2cccn2-c2ccc(Br)cc2N1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.36
▸ AKR1C4 P17516 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ MGLL Q99685 5/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ L3MBTL3 Q96JM7 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4498275 1.00 P4HB (0.36) P4HBAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4502097 1.00 P4HB (0.36) P4HBAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4501832 0.86 PTPN2 (0.36) P4HBAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4487666 0.86 PTPN2 (0.36) P4HBAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4494467 0.86 PTPN2 (0.36) P4HBAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4499456 0.84 PDK1 (0.48) PDK1PDK2PDK3PDK4
SCHEMBL4496497 0.83 ALDH1A1 (0.34) P4HBAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4482045 0.75 KMT2A (0.43) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL4489743 0.73 KMT2A (0.39) PDK1PDK2PDK3PDK4MGLL
SCHEMBL4502357 0.73 KMT2A (0.39) PDK1PDK2PDK3PDK4MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 — — US claimed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 — — US claimed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 — — WO claimed
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 — — US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 — — US disclosed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 — — 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-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 P4HB 1630/4885AKR1C4 1735/4885AKR1C3 2378/4885

“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.