SCHEMBL630453

SCHEMBL630453

CS(=O)(=O)Nc1cccc(-c2ccc3cc(O)c(N4CC(=O)NS4(=O)=O)cc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.57
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BRD4 O60885 3/20 0.44
TDP2 O95551 2/20 0.43
PTPN2 P17706 2/20 0.39
HSD17B3 P37058 1/20 0.39
KIF11 P52732 1/20 0.39
KDM1A O60341 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL630132 0.85 PTPN1 (0.60) PTPN1PTPN2PIK3CDPIK3CG
SCHEMBL630508 0.83 PTPN1 (0.66) PTPN1PTPN2
SCHEMBL629533 0.81 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL629950 0.79 PTPN1 (0.59) PTPN1PTPN2
SCHEMBL630020 0.79 PTPN1 (0.59) PTPN1TDP2PTPN2
SCHEMBL629611 0.79 PTPN1 (0.58) PTPN1BRD4PTPN2HSD17B3
SCHEMBL630189 0.79 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL629360 0.78 PTPN1 (0.63) PTPN1BRD4PTPN2
SCHEMBL629637 0.77 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL629600 0.77 PTPN1 (0.59) 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 35/4885HSD17B1 650/4885HSD17B2 641/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTPN1 23/4885HSD17B1 1517/4885HSD17B2 1393/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885HSD17B1 1913/4885HSD17B2 2749/4885

“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.