SCHEMBL629628

SCHEMBL629628

CCCCCC(=O)Oc1cc2ccc(CCC(C)C#N)cc2cc1N1CC(=O)NS1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.40
ALOX15 P16050 1/20 0.36
P2RX3 P56373 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PTPN2 P17706 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL631628 0.98 PTPN1 (0.41) PTPN1ALOX15P2RX3S1PR4S1PR1
SCHEMBL630135 0.91 PTPN1 (0.43) PTPN1ALOX15PTPN2
SCHEMBL630764 0.89 PTPN1 (0.39) PTPN1S1PR4S1PR1S1PR3S1PR5
SCHEMBL630188 0.89 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL629412 0.87 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL629762 0.86 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL10264160 0.86 PTPN1 (0.41) PTPN1SMN1; SMN2PTPN2
SCHEMBL629657 0.84 PTPN1 (0.40) PTPN1KMT2APTPN2
SCHEMBL630630 0.84 PTPN1 (0.40) PTPN1KMT2APTPN2
SCHEMBL629281 0.84 PTPN1 (0.40) PTPN1KMT2APTPN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP claimed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US claimed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US claimed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP claimed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO claimed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP 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
EP-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 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
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 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-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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-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 35/4885ALOX15 4636/4885P2RX3 3627/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTPN1 23/4885ALOX15 250/4885P2RX3 2032/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885ALOX15 4454/4885P2RX3 2767/4885

“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.