SCHEMBL629657

SCHEMBL629657

Cc1cccc(C(=O)Oc2cc3ccc(CCC(C)C#N)cc3cc2N2CC(=O)NS2(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.40
KMT2A Q03164 5/20 0.35
ESR1 P03372 2/20 0.35
MAPT P10636 4/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.31
PTPN2 P17706 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL10264160 0.93 PTPN1 (0.41) PTPN1MAPTALDH1A1PTPN2
SCHEMBL630188 0.88 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL630630 0.88 PTPN1 (0.40) PTPN1KMT2AMAPTMEN1PTPN2
SCHEMBL630923 0.88 PTPN1 (0.41) PTPN1KMT2ARAB9AADRB2ADRB1
SCHEMBL630135 0.87 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL630764 0.87 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL629762 0.86 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL629412 0.85 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL631377 0.85 PTPN1 (0.40) PTPN1KMT2APTPN2KDM4E
SCHEMBL631628 0.84 PTPN1 (0.41) PTPN1PTPN2

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 13 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
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-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 35/4885KMT2A 1965/4885ESR1 3468/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTPN1 23/4885KMT2A 1641/4885ESR1 2312/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885KMT2A 1975/4885ESR1 4397/4885

“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.