SCHEMBL3222069

SCHEMBL3222069

CCCCCNC(=O)C(Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.48
PTPN2 P17706 1/20 0.48
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP14 P50281 2/20 0.39
POLB P06746 2/20 0.39
NPY5R Q15761 1/20 0.39
AVPR1B P47901 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3222057 1.00 PTPN1 (0.48) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3221869 0.92 PTPN1 (0.47) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3221860 0.92 PTPN1 (0.47) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14395947 0.92 PTPN1 (0.47) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1732454 0.88 ALDH1A1 (0.43) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1732457 0.88 ALDH1A1 (0.43) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1731983 0.84 MMP2 (0.48) PTPN1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1731666 0.84 MMP2 (0.48) PTPN1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1731486 0.84 PTPN2 (0.46) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1731489 0.84 PTPN2 (0.46) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2

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 10 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-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
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 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-2008067527-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2008-06-05 WO disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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 (2 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 21/4885PTPN2 5/4885ALDH1A1 2621/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885PTPN2 39/4885ALDH1A1 3855/4885

“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.