SCHEMBL3214264

SCHEMBL3214264

O=C1CN(c2ccc(CCc3cccc4ccccc34)cc2O)S(=O)(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.53
PTPN2 P17706 4/20 0.38
NR1H3 Q13133 2/20 0.38
AKR1B1 P15121 1/20 0.38
DAO P14920 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SOX18 P35713 1/20 0.36
NR1H2 P55055 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
SCHEMBL3221771 0.85 PTPN1 (0.52) PTPN1PTPN2NR1H3DAONR1H2
SCHEMBL4316679 0.85 PTPN1 (0.57) PTPN1PTPN2NR1H3DAONR1H2
SCHEMBL3215930 0.84 PTPN1 (0.56) PTPN1PTPN2NR1H3DAONR1H2
SCHEMBL3216871 0.82 PTPN1 (0.50) PTPN1PTPN2NR1H3NR1H2
SCHEMBL3213356 0.81 PTPN1 (0.58) PTPN1PTPN2NR1H3DAO
SCHEMBL3216280 0.81 PTPN1 (0.52) PTPN1PTPN2DAOKDM4E
SCHEMBL3226681 0.80 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL3224451 0.80 PTPN1 (0.54) PTPN1PTPN2DAO
SCHEMBL3219608 0.80 PTPN1 (0.54) PTPN1PTPN2DAO
SCHEMBL4781228 0.80 PTPN1 (0.48) PTPN1PTPN2NR1H3DAO

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-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
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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC PTPN1 21/4885PTPN2 5/4885NR1H3 1071/4885
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 35/4885PTPN2 49/4885NR1H3 4594/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885PTPN2 39/4885NR1H3 3959/4885

“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.