SCHEMBL4643548

SCHEMBL4643548

O=C(O)CCCC#Cc1ccc(OCc2ccccc2)c(N2CC(=O)NS2(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 2/20 0.38
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGER1 P34995 2/20 0.34
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
MMP2 P08253 1/20 0.34
MMP12 P39900 1/20 0.34
KMO O15229 1/20 0.34
PSMD14 O00487 1/20 0.34
POLB P06746 1/20 0.34
PLEC Q15149 1/20 0.34
SNRNP200 O75643 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4646574 0.85 PTPN1 (0.48) PTPN1SNRNP200HTR1ASLC6A2SLC6A4
SCHEMBL3225719 0.82 PTPN1 (0.46) PTPN1FFAR4FFAR1HDAC1HDAC6
SCHEMBL4646216 0.82 PTPN1 (0.49) PTPN1FFAR1SNRNP200HTR1ASLC6A2
SCHEMBL4646708 0.76 PTPN1 (0.60) PTPN1FFAR4PTGER1PTGER4PTGER3
SCHEMBL4646906 0.76 PTPN1 (0.53) PTPN1FFAR4FFAR1SNRNP200HTR1A
SCHEMBL4643306 0.76 PTPN1 (0.53) PTPN1PTGER1SLC6A4
SCHEMBL3929924 0.75 PTPN1 (0.45) PTPN1PTGER1HTR1ASLC6A2SLC6A4
SCHEMBL3918479 0.74 PTPN1 (0.41) PTPN1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4643501 0.74 PTPN1 (0.62) PTPN1FFAR4SNRNP200HTR1ASLC6A2
SCHEMBL4646595 0.73 PTPN1 (0.53) PTPN1FFAR4PTGER1SNRNP200HTR1A

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 10/4885FFAR4 1923/4885FFAR1 880/4885

“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.