SCHEMBL3213632

SCHEMBL3213632

O=C1CN(c2ccc(CCNC(=O)c3ccc(F)cc3)cc2O)S(=O)(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PTPN1 P18031 2/20 0.44
MCHR1 Q99705 2/20 0.44
NAMPT P43490 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HTR7 P34969 1/20 0.42
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ESRRG P62508 1/20 0.40

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 0.96 NPC1 (0.49) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL3918932 0.94 NPC1 (0.47) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL2936685 0.90 NPC1 (0.43) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL3205299 0.90 MEN1 (0.48) ALDH1A1RAB9APTPN1NAMPTCA1
SCHEMBL3224733 0.86 NPC1 (0.39) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL3218066 0.83 KDM4E (0.52) ALDH1A1LMNAPTPN1SMN1; SMN2MAPT
SCHEMBL3213493 0.82 PTPN1 (0.49) PTPN1
SCHEMBL3216100 0.82 PTPN1 (0.47) ALDH1A1LMNANPC1RAB9APTPN1
SCHEMBL3226383 0.82 PTPN1 (0.47) ALDH1A1LMNAPTPN1MAPT
SCHEMBL2931723 0.82 PTPN1 (0.46) ALDH1A1LMNAPTPN1TDP1

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 11 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
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP claimed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO 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
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

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 ALDH1A1 2621/4885LMNA 4825/4885THRB 1246/4885
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 ALDH1A1 4571/4885LMNA 4141/4885THRB 196/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA ALDH1A1 3855/4885LMNA 3831/4885THRB 466/4885

“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.