SCHEMBL3216871

SCHEMBL3216871

N#Cc1ccccc1CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.50
NR1H3 Q13133 2/20 0.37
COMT P21964 1/20 0.37
PTPN2 P17706 6/20 0.36
NR1H2 P55055 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL647910 0.91 PTPN1 (0.58) PTPN1COMTPTPN2NOX4ALDH1A1
SCHEMBL2933785 0.86 PTPN1 (0.42) PTPN1ALDH1A1
SCHEMBL4316679 0.84 PTPN1 (0.57) PTPN1NR1H3PTPN2NR1H2
SCHEMBL3221771 0.84 PTPN1 (0.52) PTPN1NR1H3PTPN2NR1H2
SCHEMBL629646 0.84 PTPN1 (0.52) PTPN1COMTPTPN2NOX4ALDH1A1
SCHEMBL3213043 0.84 PTPN1 (0.49) PTPN1COMTPTPN2
SCHEMBL3215930 0.84 PTPN1 (0.56) PTPN1NR1H3PTPN2NR1H2
SCHEMBL3213356 0.83 PTPN1 (0.58) PTPN1NR1H3PTPN2
SCHEMBL3214264 0.82 PTPN1 (0.53) PTPN1NR1H3PTPN2NR1H2
SCHEMBL2933467 0.80 PTPN1 (0.58) PTPN1NR1H3PTPN2

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-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
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

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 21/4885NR1H3 1071/4885COMT 744/4885
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 35/4885NR1H3 4594/4885COMT 2858/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885NR1H3 3959/4885COMT 3884/4885

“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.