SCHEMBL5127766

SCHEMBL5127766

COC(=O)CN(c1csc(-c2ccccc2)c1Br)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.38
GSTO1 P78417 2/20 0.36
NR1I2 O75469 1/20 0.36
CA2 P00918 1/20 0.36
MMP13 P45452 2/20 0.34
TSHR P16473 2/20 0.34
AKT1 P31749 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPRB P23467 1/20 0.34
PTPN1 P18031 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
IDO1 P14902 1/20 0.33
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5123264 0.90 CA12 (0.39) CA12CA14CA1CA7ALDH1A1
SCHEMBL5123712 0.89 CA12 (0.39) CA12CA14CA1CA7ALDH1A1
SCHEMBL5117056 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1GSTO1NR1I2MMP13
SCHEMBL5128482 0.80 ALDH1A1 (0.32) CA12CA14CA1CA7ALDH1A1
SCHEMBL5120240 0.79 CA12 (0.40) CA12CA14CA1CA7ALDH1A1
SCHEMBL5117806 0.77 ALOX5 (0.42) ALDH1A1MAPK1MMP13SMN1; SMN2MAPT
SCHEMBL5117004 0.74 PTPN1 (0.39) TSHRPTPN1
SCHEMBL1731157 0.73 CA12 (0.41) CA12CA14CA1CA7ALDH1A1
SCHEMBL5116798 0.72 PTPN1 (0.42) PTPN1
SCHEMBL1731086 0.71 GAA (0.46) CA12CA14CA1CA7ALDH1A1

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 CA12 4823/4885CA14 4854/4885CA1 4824/4885

“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.