SCHEMBL4644677

SCHEMBL4644677

O=C(Cc1ccc(-c2ccc(OCc3ccccc3)c(N3CC(=O)NS3(=O)=O)c2)cc1)NCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.52
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CHRM4 P08173 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BRD4 O60885 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SMPD1 P17405 1/20 0.35
USP28 Q96RU2 1/20 0.35
USP25 Q9UHP3 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.34
HTT P42858 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
SCHEMBL4646708 0.88 PTPN1 (0.60) PTPN1RXRARXRBRXRGBRD4
SCHEMBL4643501 0.86 PTPN1 (0.62) PTPN1RXRARXRBRXRGSMPD1
SCHEMBL3224347 0.83 PTPN1 (0.52) PTPN1CNR2
SCHEMBL4646595 0.78 PTPN1 (0.53) PTPN1BRD4MRGPRX4
SCHEMBL4646366 0.77 PTPN1 (0.61) PTPN1MRGPRX4
SCHEMBL4647333 0.77 PTPN1 (0.53) PTPN1MRGPRX4
SCHEMBL4648546 0.77 PTPN1 (0.57) PTPN1BRD4ALDH1A1LMNAMEN1
SCHEMBL4646906 0.77 PTPN1 (0.53) PTPN1
SCHEMBL3920457 0.77 PTPN1 (0.61) PTPN1BRD4MRGPRX4
SCHEMBL4957526 0.76 PTPN1 (0.52) PTPN1HDAC6MRGPRX4

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 10/4885SPHK2 561/4885SPHK1 668/4885

“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.