SCHEMBL3209496

SCHEMBL3209496

COc1ccccc1CNCc1ccc(O)c(N2CC(=O)NS2(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.48
KDM4E B2RXH2 6/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 4/20 0.40
ADRB1 P08588 3/20 0.40
DRD2 P14416 3/20 0.40
ADRA1D P25100 3/20 0.40
CHEK1 O14757 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL3215342 0.91 KDM4E (0.46) PTPN1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2931719 0.90 PTPN1 (0.43) PTPN1KDM4EHDAC3HDAC1HDAC2
SCHEMBL3223873 0.87 PTPN1 (0.41) PTPN1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3205368 0.85 PTPN1 (0.53) PTPN1KDM4EHDAC1HDAC8ALDH1A1
SCHEMBL2933529 0.84 KDM4E (0.47) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL27733152 0.80 KDM4E (0.41) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL630068 0.77 PTPN1 (0.64) PTPN1MEN1KMT2A
SCHEMBL3217683 0.77 PTPN1 (0.64) PTPN1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4557176 0.76 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL2935327 0.74 PTPN1 (0.56) PTPN1

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 4 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
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY JEYASEELAN JEY RAJU 2010-02-11 US 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

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 10/4885KDM4E 3278/4885HDAC3 3295/4885
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 35/4885KDM4E 1089/4885HDAC3 3045/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885KDM4E 631/4885HDAC3 1874/4885

“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.