SCHEMBL4644890

SCHEMBL4644890

CC(C)CCOc1ccc(OCc2ccccc2)c(N2CC(=O)NS2(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.48
ADAM17 P78536 2/20 0.38
MMP9 P14780 1/20 0.38
MMP1 P03956 1/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
PTPN2 P17706 1/20 0.37
MCHR1 Q99705 2/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GRM2 Q14416 1/20 0.36
SNRNP200 O75643 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
Potassium SCHEMBL4647048 0.83 PTPN1 (0.50) PTPN1MAOAMAOBSNRNP200PDE3B
SCHEMBL4647040 0.83 PTPN1 (0.50) PTPN1ADAM17MMP9MAOAMAOB
SCHEMBL22412482 0.82 PTPN1 (0.63) PTPN1PTPN2MCHR1KCNH2
SCHEMBL22412375 0.82 PTPN1 (0.55) PTPN1PTPN2MCHR1KCNH2
SCHEMBL4646574 0.81 PTPN1 (0.48) PTPN1ADAM17MMP1PTPN2GRM2
SCHEMBL2933961 0.81 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL3917674 0.80 PTPN1 (0.44) PTPN1MAOAMAOB
SCHEMBL4646906 0.79 PTPN1 (0.53) PTPN1MAOAMAOBPTPN2SNRNP200
SCHEMBL4643306 0.79 PTPN1 (0.53) PTPN1PTPN2
Potassium SCHEMBL629775 0.78 PTPN1 (0.51) PTPN1MAOAMAOBPTPN2HRH3

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 3 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 disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 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 (1 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 10/4885ADAM17 3239/4885MMP9 3166/4885

“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.