SCHEMBL2056261

SCHEMBL2056261

CCCCOc1ccc(C(=O)CBr)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE4B Q07343 1/20 0.45
SMPD1 P17405 3/20 0.44
GSK3B P49841 1/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL11401113 0.88 ALDH1A1 (0.54) PTPN11ALDH1A1GSK3BMAPTSMN1; SMN2
SCHEMBL2056260 0.85 CREBBP (0.51) PTPN11ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL6402167 0.83 GSK3B (0.51) ALDH1A1HPGDKDM4EGSK3BHSP90AA1
SCHEMBL2770100 0.81 ALDH1A1 (0.56) PTPN11ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL2772497 0.81 SMN1; SMN2 (0.49) PTPN11ALDH1A1HPGDKDM4ESMPD1
SCHEMBL15943001 0.81 THRA (0.61) PTPN11PDE4BGSK3BTHRATHRB
SCHEMBL4728759 0.81 MAPT (0.47) PTPN11ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL14507234 0.81 LMNA (0.52) ALDH1A1HPGDKDM4EL3MBTL1MAPT
SCHEMBL969045 0.80 HPGD (0.55) ALDH1A1HPGDKDM4EL3MBTL1SMPD1
SCHEMBL469521 0.80 PLA2G2D (0.48) PDE4BSMPD1GSK3BTHRATHRB

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
EP-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G PTPN11 2016/4885ALDH1A1 1434/4885HPGD 787/4885

“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.