SCHEMBL963858

SCHEMBL963858

CS(=O)(=O)N(Cc1ccccc1)c1cc(C2CO2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.42
PTPN1 P18031 3/20 0.41
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
APP P05067 1/20 0.40
PTPRF P10586 1/20 0.39
PTPN11 Q06124 1/20 0.39
ACLY P53396 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL14090696 0.89 CYP19A1 (0.46) CYP19A1ALDH1A1APPPDE4APDE4B
SCHEMBL6074644 0.82 ALDH1A1 (0.43) CYP19A1PTPN1PTPN2PTPN6L3MBTL1
SCHEMBL3287626 0.82 ALDH1A1 (0.43) CYP19A1PTPN1PTPN2PTPN6L3MBTL1
SCHEMBL7611458 0.82 APP (0.42) CYP19A1ALDH1A1APPPDE4APDE4B
SCHEMBL7611451 0.82 APP (0.42) CYP19A1ALDH1A1APPPDE4APDE4B
SCHEMBL3287624 0.82 ALDH1A1 (0.43) CYP19A1PTPN1PTPN2PTPN6L3MBTL1
SCHEMBL3292376 0.80 CYP19A1 (0.48) CYP19A1PTPN1PTPN2PTPN6L3MBTL1
SCHEMBL963777 0.76 MEN1 (0.52) CYP19A1PTPN1PTPN2PTPN6L3MBTL1
SCHEMBL9689659 0.76 ALDH1A1 (0.46) PTPN1PTPN6ALDH1A1PTPN11LMNA
SCHEMBL4370495 0.76 PDE4A (0.47) L3MBTL1APPPDE4APDE4BPDE4C

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 CYP19A1 4570/4885PTPN1 1867/4885PTPN2 1478/4885

“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.