SCHEMBL3221869

SCHEMBL3221869

O=C1CN(c2ccc(CC(NS(=O)(=O)c3ccccc3)C(=O)NCCCCc3ccccc3)cc2O)S(=O)(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
PTPN2 P17706 1/20 0.47
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY5R Q15761 1/20 0.39
AVPR1B P47901 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL14395947 1.00 PTPN1 (0.47) PTPN1PTPN2ALDH1A1MAPK1MAPT
SCHEMBL3221860 1.00 PTPN1 (0.47) PTPN1PTPN2ALDH1A1MAPK1MAPT
SCHEMBL3222069 0.92 PTPN1 (0.48) PTPN1PTPN2ALDH1A1MAPK1MAPT
SCHEMBL3222057 0.92 PTPN1 (0.48) PTPN1PTPN2ALDH1A1MAPK1MAPT
SCHEMBL1731486 0.92 PTPN2 (0.46) PTPN1PTPN2ALDH1A1MAPK1MAPT
SCHEMBL1731489 0.92 PTPN2 (0.46) PTPN1PTPN2ALDH1A1MAPK1MAPT
SCHEMBL1732343 0.88 NPY5R (0.43) PTPN1PTPN2ALDH1A1MAPK1MAPT
SCHEMBL1731665 0.88 NPY5R (0.43) PTPN1PTPN2ALDH1A1MAPK1MAPT
SCHEMBL1732123 0.84 MMP2 (0.48) ALDH1A1MAPK1MAPTSMN1; SMN2NPY5R
SCHEMBL1732127 0.84 MMP2 (0.48) ALDH1A1MAPK1MAPTSMN1; SMN2NPY5R

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 9 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
EP-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 EP disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 WO 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 5/4885ALDH1A1 2621/4885
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 49/4885ALDH1A1 4571/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885PTPN2 39/4885ALDH1A1 3855/4885

“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.