SCHEMBL4494467

SCHEMBL4494467

C[C@@H]1c2cccn2-c2ccc(Br)cc2N1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
P4HB P07237 1/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
MGLL Q99685 5/20 0.33
KDM4E B2RXH2 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 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
SCHEMBL4501832 1.00 PTPN2 (0.36) PTPN2PTPN1AKR1C4AKR1C3AKR1C2
SCHEMBL4487666 1.00 PTPN2 (0.36) PTPN2PTPN1AKR1C4AKR1C3AKR1C2
SCHEMBL4482045 0.89 KMT2A (0.43) PTPN2PTPN1PDK1PDK2PDK3
SCHEMBL4502357 0.87 KMT2A (0.39) PTPN2PTPN1PDK1PDK2PDK3
SCHEMBL4495844 0.87 KMT2A (0.39) PTPN2PTPN1PDK1PDK2PDK3
SCHEMBL4489743 0.87 KMT2A (0.39) PTPN2PTPN1PDK1PDK2PDK3
SCHEMBL4500535 0.86 ELANE (0.43) PTPN1TP53KDM4EHPGDMEN1
SCHEMBL4502097 0.86 P4HB (0.36) AKR1C4AKR1C3AKR1C2AKR1C1PDK1
SCHEMBL4496497 0.86 ALDH1A1 (0.34) AKR1C4AKR1C3AKR1C2AKR1C1PDK1
SCHEMBL4493381 0.86 P4HB (0.36) AKR1C4AKR1C3AKR1C2AKR1C1PDK1

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-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-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

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 PTPN2 343/4885PTPN1 202/4885AKR1C4 1735/4885

“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.