SCHEMBL629611

SCHEMBL629611

N#Cc1cccc(-c2ccc3cc(O)c(N4CC(=O)NS4(=O)=O)cc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.58
PGR P06401 2/20 0.41
PTPN2 P17706 4/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
LIPG Q9Y5X9 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
PAX8 Q06710 1/20 0.36
HSD17B3 P37058 1/20 0.35

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
SCHEMBL3223108 0.88 PTPN1 (0.60) PTPN1PGRXDHSLC22A12LIPG
SCHEMBL629292 0.88 PTPN1 (0.66) PTPN1PTPN2
SCHEMBL630508 0.86 PTPN1 (0.66) PTPN1PTPN2
SCHEMBL630488 0.85 PTPN1 (0.55) PTPN1PTPN2BRD4
SCHEMBL629683 0.84 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL630020 0.82 PTPN1 (0.59) PTPN1PTPN2
SCHEMBL629950 0.82 PTPN1 (0.59) PTPN1PTPN2IKBKBCHUK
SCHEMBL630562 0.82 PTPN1 (0.46) PTPN1PGRPTPN2LIPGIKBKB
SCHEMBL630189 0.82 PTPN1 (0.58) PTPN1PGRPTPN2LIPG
SCHEMBL629533 0.82 PTPN1 (0.61) 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 14 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
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
EP-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 EP 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-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 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 35/4885PGR 827/4885PTPN2 49/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTPN1 23/4885PGR 1339/4885PTPN2 8/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885PGR 4091/4885PTPN2 39/4885

“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.