SCHEMBL649136

SCHEMBL649136

COC(=O)c1cccc(Cc2ccc(N3CC(=O)NS3(=O)=O)c(OCc3ccccc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
MRGPRX4 Q96LA9 7/20 0.41
PPIA P62937 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
ENPP2 Q13822 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GSK3B P49841 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL648083 0.92 MEN1 (0.46) PTPN1MRGPRX4LMNAHPGDMAPT
SCHEMBL647267 0.92 MRGPRX4 (0.43) PTPN1MRGPRX4HPGDMAPTRAB9A
SCHEMBL646919 0.87 PTPN1 (0.47) PTPN1HPGDMAPTRAB9AALDH1A1
SCHEMBL647839 0.85 PTPN1 (0.57) PTPN1MRGPRX4LOXL2CYP4F2CYP4A11
SCHEMBL3917680 0.84 PTPN1 (0.45) PTPN1RAB9ANPC1
SCHEMBL1908997 0.83 PTPN1 (0.45) PTPN1HPGDMAPTALDH1A1L3MBTL1
SCHEMBL3917104 0.82 PTPN1 (0.46) PTPN1MAPTRAB9AALDH1A1NPC1
SCHEMBL3915822 0.82 ABCB1 (0.43) PTPN1LMNAHPGDRAB9AALDH1A1
SCHEMBL3917093 0.82 PTPN1 (0.42) PTPN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3915511 0.82 PTPN1 (0.42) PTPN1MAPTRAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR PTPN1 17/4885MRGPRX4 1398/4885PPIA 2294/4885

“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.