SCHEMBL3216100

SCHEMBL3216100

CCC(=O)NCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.47
MAPT P10636 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 2/20 0.39
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 1/20 0.39
PTPN2 P17706 2/20 0.38
ALOX12 P18054 1/20 0.38
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 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
SCHEMBL3218066 0.89 KDM4E (0.52) PTPN1MAPTHSD17B10MTNR1AMTNR1B
SCHEMBL2933013 0.88 PTPN1 (0.47) PTPN1MAPTHSD17B10TRPV1MEN1
SCHEMBL3224492 0.86 PTPN1 (0.49) PTPN1MAPTHSD17B10KMT2AKDM4E
SCHEMBL3220339 0.86 PTPN1 (0.47) PTPN1MAPTHSD17B10KDM4ELMNA
SCHEMBL3224316 0.86 MAPT (0.45) PTPN1MAPTHSD17B10TRPV1MEN1
SCHEMBL3226383 0.85 PTPN1 (0.47) PTPN1MAPTHSD17B10KDM4ELMNA
SCHEMBL3226360 0.85 TRPV1 (0.47) PTPN1MAPTHSD17B10TRPV1MEN1
SCHEMBL3226623 0.84 TRPV1 (0.48) PTPN1MAPTHSD17B10TRPV1MEN1
SCHEMBL2935544 0.84 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL2931809 0.84 PTPN1 (0.47) PTPN1MAPTHSD17B10KDM4ELMNA

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 9 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
EP-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 EP disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US 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-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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC PTPN1 21/4885MAPT 3315/4885HSD17B10 794/4885
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 35/4885MAPT 1912/4885HSD17B10 1778/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885MAPT 3785/4885HSD17B10 1992/4885

“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.