SCHEMBL5117056

SCHEMBL5117056

COC(=O)CN(c1csc(-c2ccccc2)c1Br)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
NR1I2 O75469 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
GSTO1 P78417 1/20 0.38
TSHR P16473 1/20 0.38
PTPN1 P18031 5/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
PKM P14618 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKCZ Q05513 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
RAB9A P51151 2/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL5112961 0.87 NR1I2 (0.42) ALDH1A1MAPK1NR1I2SMN1; SMN2GSTO1
SCHEMBL5127766 0.81 CA12 (0.39) ALDH1A1MAPK1NR1I2SMN1; SMN2GSTO1
SCHEMBL5128143 0.75 NR1I2 (0.44) ALDH1A1MAPK1NR1I2SMN1; SMN2GSTO1
SCHEMBL5124458 0.74 GRM6 (0.39) ALDH1A1MAPK1NR1I2SMN1; SMN2TSHR
SCHEMBL5123264 0.70 CA12 (0.39) ALDH1A1MAPK1NR1I2SMN1; SMN2GSTO1
SCHEMBL5122274 0.70 NPC1 (0.42) ALDH1A1MAPK1SMN1; SMN2GSTO1TSHR
SCHEMBL5123269 0.70 PTPN1 (0.43) TSHRPTPN1
SCHEMBL5123712 0.70 CA12 (0.39) ALDH1A1MAPK1NR1I2SMN1; SMN2GSTO1
SCHEMBL6674123 0.68 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2TSHRPKM
SCHEMBL1731122 0.67 KEAP1 (0.41) ALDH1A1NR1I2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 US 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR ALDH1A1 1266/4885MAPK1 587/4885NR1I2 2712/4885

“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.