SCHEMBL3226584

SCHEMBL3226584

CC(C)Cn1cc(-c2ccc(O)c(N3CC(=O)NS3(=O)=O)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.52
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
NAMPT P43490 1/20 0.40
IDH1 O75874 1/20 0.39
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
USP30 Q70CQ3 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
JAK2 O60674 1/20 0.35
ACHE P22303 2/20 0.35
LIPC P11150 1/20 0.35
PTPN2 P17706 1/20 0.35
FLT3 P36888 1/20 0.35
SYK P43405 1/20 0.35
AURKB Q96GD4 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
BMPR1B O00238 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
SCHEMBL3216298 0.92 PTPN1 (0.52) PTPN1PRMT5WDR77NAMPTIDH1
SCHEMBL2937480 0.90 PTPN1 (0.50) PTPN1PRMT5WDR77NAMPTPTPN2
SCHEMBL31328076 0.90 PTPN1 (0.50) PTPN1PRMT5WDR77NAMPTPTPN2
SCHEMBL3213594 0.87 PTPN1 (0.53) PTPN1PRMT5WDR77NAMPTCTSK
SCHEMBL4781833 0.85 PTPN1 (0.45) PTPN1PRMT5WDR77NAMPTIDH1
SCHEMBL2930306 0.84 PTPN1 (0.58) PTPN1PRMT5WDR77USP30BRD4
SCHEMBL3262939 0.83 PTPN1 (0.48) PTPN1PRMT5WDR77CTSKCTSC
SCHEMBL3214685 0.82 PTPN1 (0.50) PTPN1PRMT5WDR77NAMPTPTPN2
SCHEMBL3213221 0.82 PTPN1 (0.48) PTPN1PRMT5WDR77CTSKCTSC
SCHEMBL3220712 0.81 PTPN1 (0.48) PTPN1PRMT5WDR77LIPCPTPN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US claimed
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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 PTPN1 10/4885PRMT5 1472/4885WDR77 2115/4885
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 35/4885PRMT5 765/4885WDR77 2044/4885
US-20100035860-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY PPM1A, TNNI3, PTPA PTPN1 41/4885PRMT5 751/4885WDR77 3000/4885

“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.