SCHEMBL3006552

SCHEMBL3006552

Cc1ccc2cc(OCc3ccccc3)c(N3CC(=O)NS3(=O)=O)cc2c1.O=C1CN(c2cc3cc(Br)ccc3cc2OCc2ccccc2)S(=O)(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.44
PTPN2 P17706 1/20 0.38
PTGER1 P34995 4/20 0.38
CYP1A2 P05177 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MAOB P27338 2/20 0.37
MAPK14 Q16539 1/20 0.37
SLC6A4 P31645 1/20 0.35
CCR5 P51681 1/20 0.35
PTP4A3 O75365 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
SCHEMBL3006427 0.94 PTPN1 (0.46) PTPN1PTPN2PTGER1CYP1A2MAOB
SCHEMBL629845 0.94 PTPN1 (0.46) PTPN1PTPN2PTGER1CYP1A2MAOB
SCHEMBL3005189 0.94 PTPN1 (0.48) PTPN1PTPN2MAOBMAPK14
SCHEMBL3006548 0.84 LRRK2 (0.38) PTPN1PTGER1CYP1A2HTR7HTR6
SCHEMBL629774 0.84 PTPN1 (0.51) PTPN1PTPN2CYP1A2MAOBALDH1A1
Potassium SCHEMBL629775 0.84 PTPN1 (0.51) PTPN1PTPN2CYP1A2MAOBALDH1A1
SCHEMBL12056127 0.83 PTPN1 (0.50) PTPN1PTPN2PTGER1HTR6MAOB
SCHEMBL4643306 0.83 PTPN1 (0.53) PTPN1PTPN2PTGER1CYP1A2SLC6A4
Potassium SCHEMBL2998210 0.83 PTPN1 (0.61) PTPN1PTPN2MAOB
SCHEMBL2998204 0.83 PTPN1 (0.61) PTPN1PTPN2MAOB

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-20100197744-A1 Organic Compounds BARNES DAVID 2010-08-05 US disclosed
EP-2155704-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148744-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2008-12-11 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-20100197744-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTPN1 25/4885PTPN2 10/4885PTGER1 1559/4885

“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.