SCHEMBL3205299

SCHEMBL3205299

O=C1CN(c2ccc(CCNC(=O)c3ccccc3)cc2O)S(=O)(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
PTPN1 P18031 6/20 0.47
NAMPT P43490 2/20 0.46
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ESRRG P62508 1/20 0.42
RAB9A P51151 2/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41

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
SCHEMBL4557598 0.94 NPC1 (0.49) MEN1KMT2AGAAPTPN1NAMPT
SCHEMBL3213632 0.90 ALDH1A1 (0.47) PTPN1NAMPTESRRGRAB9ACA1
SCHEMBL4782790 0.89 MEN1 (0.42) MEN1KMT2AGAAPTPN1NAMPT
SCHEMBL3759377 0.86 PTPN1 (0.46) MEN1KMT2APTPN1NAMPTHDAC2
SCHEMBL3218066 0.85 KDM4E (0.52) PTPN1LIPGKDM4EALDH1A1MAPT
SCHEMBL3915822 0.85 ABCB1 (0.43) MEN1KMT2APTPN1NAMPTHDAC2
SCHEMBL3918932 0.84 NPC1 (0.47) PTPN1NAMPTRAB9ALIPGALDH1A1
SCHEMBL3215930 0.84 PTPN1 (0.56) PTPN1
SCHEMBL3216100 0.83 PTPN1 (0.47) MEN1KMT2APTPN1RAB9AKDM4E
SCHEMBL3226383 0.83 PTPN1 (0.47) PTPN1LIPGKDM4EALDH1A1MAPT

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 14 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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
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
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP 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
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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 MEN1 4439/4885KMT2A 1666/4885GAA 659/4885
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 MEN1 1479/4885KMT2A 1965/4885GAA 328/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA MEN1 4707/4885KMT2A 1975/4885GAA 1541/4885

“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.