SCHEMBL646553

SCHEMBL646553

Cc1cc(Br)cc(OCc2ccccc2)c1N1CC(=O)NS1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
PTGER1 P34995 4/20 0.40
MAPK14 Q16539 3/20 0.39
PTPN2 P17706 1/20 0.39
CYP1A2 P05177 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM1A O60341 2/20 0.36
BRD4 O60885 1/20 0.36
CCR5 P51681 1/20 0.35
PTP4A3 O75365 1/20 0.35
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 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
SCHEMBL2895402 0.87 KDM1A (0.46) PTPN1PTGER1MAPK14PTPN2SLC6A4
SCHEMBL647865 0.87 PTPN1 (0.43) PTPN1PTGER1MAPK14PTPN2BRD4
Potassium SCHEMBL2895709 0.86 KDM1A (0.45) PTPN1PTGER1MAPK14PTPN2SLC6A4
SCHEMBL2895704 0.86 KDM1A (0.45) PTPN1PTGER1MAPK14PTPN2SLC6A4
SCHEMBL31285248 0.85 PTPN2 (0.41) PTPN1MAPK14PTPN2BRD4
SCHEMBL4646378 0.82 PTPN1 (0.51) PTPN1PTGER1MAPK14PTPN2CYP1A2
SCHEMBL2895984 0.81 PTPN1 (0.45) PTPN1MAPK14PTPN2SLC6A4
SCHEMBL2905556 0.81 PTPN1 (0.43) PTPN1MAPK14PTPN2
SCHEMBL4643306 0.79 PTPN1 (0.53) PTPN1PTGER1PTPN2CYP1A2SLC6A4
SCHEMBL2896986 0.78 PTPN1 (0.63) PTPN1PTGER1PTPN2SLC6A4CCR5

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 17/4885PTGER1 978/4885MAPK14 966/4885

“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.