SCHEMBL4956387

SCHEMBL4956387

COC(=O)CN(c1cc(Oc2ccccc2)ccc1OCc1ccccc1)S(N)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KEAP1 Q14145 6/20 0.48
NFE2L2 Q16236 6/20 0.48
PTPN1 P18031 3/20 0.46
PTPN2 P17706 2/20 0.45
PTPN6 P29350 2/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
PTPRF P10586 1/20 0.42
PTPN11 Q06124 1/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAPK1 P28482 1/20 0.41
C5AR1 P21730 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL646518 0.93 ALDH1A1 (0.54) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL4957519 0.83 ALDH1A1 (0.47) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL3918404 0.78 ALDH1A1 (0.52) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL3917977 0.78 KEAP1 (0.50) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL3917277 0.78 ALDH1A1 (0.48) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL3000208 0.77 ALDH1A1 (0.53) ALDH1A1KEAP1NFE2L2PTPN1MTNR1A
SCHEMBL27737966 0.77 ALDH1A1 (0.47) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL27737992 0.77 ALDH1A1 (0.50) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL648387 0.76 KEAP1 (0.48) ALDH1A1KEAP1NFE2L2PTPN1PTPN2
SCHEMBL629539 0.75 MAOB (0.45) ALDH1A1KEAP1NFE2L2MAPK1

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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 ALDH1A1 2639/4885KEAP1 1864/4885NFE2L2 2800/4885

“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.