SCHEMBL2931719

SCHEMBL2931719

CC(C)Oc1ccccc1CNCc1ccc(O)c(N2CC(=O)NS2(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.43
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
DRD2 P14416 4/20 0.34
ADRA1D P25100 4/20 0.34
KCNH2 Q12809 3/20 0.34
TMEM97 Q5BJF2 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
PTPN2 P17706 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3223873 0.91 PTPN1 (0.41) PTPN1ADRB2ADRB1DRD2ADRA1D
SCHEMBL3209496 0.90 PTPN1 (0.48) PTPN1ADRB2ADRB1DRD2ADRA1D
SCHEMBL3215342 0.88 KDM4E (0.46) PTPN1ADRB2ADRB1DRD2ADRA1D
SCHEMBL3205368 0.82 PTPN1 (0.53) PTPN1PTPN2KDM4EHDAC1HDAC8
SCHEMBL4449820 0.76 ADRB2 (0.36) ADRB2ADRB1DRD2ADRA1DKDM4E
SCHEMBL2937127 0.76 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL2933529 0.74 KDM4E (0.47) ADRB2ADRB1DRD2ADRA1DKDM4E
SCHEMBL2935327 0.72 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL27733152 0.71 KDM4E (0.41) ADRB2ADRB1DRD2ADRA1DKDM4E
SCHEMBL3216168 0.70 PTPN1 (0.48) PTPN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US claimed
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
EP-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY JEYASEELAN JEY RAJU 2010-02-11 US disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
WO-2008067527-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2008-06-05 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 PTPN1 10/4885ADRB2 1983/4885ADRB1 1589/4885
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 35/4885ADRB2 4290/4885ADRB1 3772/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885ADRB2 2381/4885ADRB1 1106/4885

“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.