Sugi Predict

Sugi Predict / Compounds / SCHEMBL3209517

SCHEMBL3209517

SCHEMBL3209517

CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL2933763 0.97 CA12 (0.40) EPHX1CA12CA1CA2CA9
SCHEMBL3762437 0.84 EPHX1 (0.49) EPHX1PTPN1MEN1KMT2ALMNA
SCHEMBL2936042 0.83 PTPN1 (0.42) EPHX1PTPN1MEN1KMT2ATP53
SCHEMBL2931809 0.82 PTPN1 (0.47) CA1CA2PTPN1LMNAMAPT
SCHEMBL3204480 0.79 EPHX1 (0.50) EPHX1PTPN1MEN1KMT2ATP53
SCHEMBL2936239 0.78 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
SCHEMBL2933013 0.78 PTPN1 (0.47) PTPN1MEN1KMT2ALMNAMAPT
SCHEMBL3220339 0.78 PTPN1 (0.47) PTPN1LMNAPOLBMAPT
SCHEMBL2930353 0.77 PTPN1 (0.45) CA12CA1CA2CA9PTPN1
SCHEMBL3226383 0.77 PTPN1 (0.47) PTPN1LMNAMAPT

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 6 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
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 — — 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC EPHX1 1977/4885CA12 3943/4885CA1 4094/4885
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 EPHX1 4440/4885CA12 3963/4885CA1 4391/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA EPHX1 2858/4885CA12 4525/4885CA1 4097/4885

“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.