SCHEMBL630068

SCHEMBL630068

COc1ccccc1CCc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.64
PTPN2 P17706 3/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H3 Q13133 2/20 0.37
ABCB1 P08183 3/20 0.36
NR1H2 P55055 1/20 0.35
NR3C2 P08235 1/20 0.35
SOX18 P35713 1/20 0.35
COMT P21964 1/20 0.34

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
SCHEMBL629407 0.86 PTPN1 (0.78) PTPN1PTPN2
SCHEMBL629338 0.86 PTPN1 (0.74) PTPN1PTPN2NR1H3NR1H2
SCHEMBL629875 0.82 PTPN1 (0.67) PTPN1PTPN2
SCHEMBL629955 0.81 PTPN1 (0.60) PTPN1PTPN2
SCHEMBL629757 0.81 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL27745950 0.80 PTPN1 (0.39) PTPN1MEN1KMT2ANR1H3ABCB1
SCHEMBL628450 0.80 PTPN1 (0.69) PTPN1PTPN2
SCHEMBL629911 0.79 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL630202 0.79 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL629288 0.79 PTPN1 (0.63) 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 8 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-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
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
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US 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 35/4885PTPN2 49/4885MEN1 1479/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTPN1 23/4885PTPN2 8/4885MEN1 4331/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885PTPN2 39/4885MEN1 4707/4885

“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.