Sugi Predict

Sugi Predict / Compounds / SCHEMBL3214725

SCHEMBL3214725

SCHEMBL3214725

CC(Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)C(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 12/20 0.48
▸ PTPN2 P17706 9/20 0.41
▸ ALOX15 P16050 3/20 0.34
▸ ALOX12 P18054 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 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
SCHEMBL3221773 0.89 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL3224224 0.88 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL2930769 0.88 PTPN1 (0.47) PTPN1PTPN2ALOX15MAPT
SCHEMBL3221100 0.87 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3221657 0.86 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3210005 0.85 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL2938737 0.84 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3220627 0.84 PTPN1 (0.48) PTPN1PTPN2ESR1CHRM1
SCHEMBL3923934 0.84 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL2937456 0.82 PTPN1 (0.48) PTPN1PTPN2ALDH1A1LMNA

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 12 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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 — — US disclosed
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
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 — — US 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-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 (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 21/4885PTPN2 5/4885ALOX15 280/4885
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 35/4885PTPN2 49/4885ALOX15 4636/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885PTPN2 39/4885ALOX15 4454/4885

“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.