SCHEMBL4647040

SCHEMBL4647040

O=C1CN(c2cc(Oc3ccccc3)ccc2OCc2ccccc2)S(=O)(=O)N1.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.50
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
SNRNP200 O75643 1/20 0.38
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GRIA2 P42262 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35
RHEB Q15382 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 0.98 PTPN1 (0.50) PTPN1FFAR1FFAR4MAOAMAOB
SCHEMBL646443 0.92 PTPN1 (0.45) PTPN1FFAR1FFAR4MAOAMAOB
Potassium SCHEMBL646444 0.89 PTPN1 (0.45) PTPN1FFAR1FFAR4MAOAMAOB
SCHEMBL4646906 0.84 PTPN1 (0.53) PTPN1FFAR1FFAR4MAOAMAOB
SCHEMBL4643306 0.84 PTPN1 (0.53) PTPN1SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL4644890 0.83 PTPN1 (0.48) PTPN1MAOAMAOBSNRNP200PDE3B
SCHEMBL629774 0.82 PTPN1 (0.51) PTPN1MAOAMAOBPDE3BPDE3A
Potassium SCHEMBL629775 0.80 PTPN1 (0.51) PTPN1MAOAMAOBPDE3BPDE3A
SCHEMBL646529 0.80 PTPN1 (0.55) PTPN1FFAR1FFAR4GRIA2MMP9
SCHEMBL2998204 0.80 PTPN1 (0.61) PTPN1MAOBHTR1A

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 10/4885FFAR1 880/4885FFAR4 1923/4885

“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.