SCHEMBL3221827

SCHEMBL3221827

O=C1CN(c2ccc(CC3Cc4ccccc4C3=O)cc2O)S(=O)(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.47
CYP19A1 P11511 2/20 0.44
HDAC1 Q13547 1/20 0.40
ACHE P22303 4/20 0.38
SIGMAR1 Q99720 1/20 0.37
METAP1 P53582 3/20 0.37
PTPN2 P17706 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 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
SCHEMBL3226441 0.84 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3226456 0.84 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL27737679 0.81 CYP19A1 (0.41) CYP19A1HDAC1ACHESIGMAR1METAP1
SCHEMBL3213484 0.80 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL3226863 0.79 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL2936665 0.79 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3219617 0.77 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL3208787 0.77 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL2930305 0.77 PTPN1 (0.45) PTPN1PTPN2DRD3
SCHEMBL3226502 0.77 PTPN1 (0.45) PTPN1PTPN2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US claimed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US claimed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP claimed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO claimed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20100305036-A1 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (SZ) 2010-12-02 US disclosed
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY JEYASEELAN JEY RAJU 2010-02-11 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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 (3 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC PTPN1 21/4885CYP19A1 1354/4885HDAC1 1813/4885
US-20100305036-A1 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS MUSK, PPP5C, PPP3CA PTPN1 35/4885CYP19A1 945/4885HDAC1 2359/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885CYP19A1 4256/4885HDAC1 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.