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SCHEMBL3204816

SCHEMBL3204816

CNC(=O)c1cccc(CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.51
▸ DHODH Q02127 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ PTPN2 P17706 3/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 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
SCHEMBL2935247 0.95 PTPN1 (0.48) PTPN1DHODHSLC7A5HDAC6HDAC8
SCHEMBL647257 0.95 PTPN1 (0.54) PTPN1SLC7A5HDAC6HDAC8PARP1
SCHEMBL649370 0.94 PTPN1 (0.54) PTPN1SLC7A5HDAC6HDAC8PARP1
SCHEMBL3213493 0.91 PTPN1 (0.49) PTPN1HDAC6HDAC8PTPN2CRBN
SCHEMBL3212662 0.88 PTPN1 (0.50) PTPN1DHODHPTPN2KMT2A
SCHEMBL3221761 0.87 PTPN1 (0.49) PTPN1PARP1PTPN2
SCHEMBL2931651 0.86 PTPN1 (0.46) PTPN1DHODHHDAC6HDAC8PTPN2
SCHEMBL2936949 0.86 PTPN1 (0.49) PTPN1PARP1PTPN2
SCHEMBL647839 0.85 PTPN1 (0.57) PTPN1SLC7A5PARP1PTPN2CYP4F2
SCHEMBL1908879 0.83 PTPN1 (0.55) PTPN1KMT2A

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 6 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-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

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 PTPN1 21/4885DHODH 2070/4885SLC7A5 1763/4885
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 PTPN1 35/4885DHODH 3381/4885SLC7A5 3649/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885DHODH 2483/4885SLC7A5 3028/4885

“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.