SCHEMBL3170004

SCHEMBL3170004

CC(=O)N(C(C)=O)c1cc2sc3ccccc3c2cc1N(C(C)=O)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ GPR3 P46089 1/20 0.45
▸ PTPN7 P35236 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN12 Q05209 1/20 0.43
▸ PTPN22 Q9Y2R2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41

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
SCHEMBL14523527 0.80 GAA (0.39) GAA
SCHEMBL14523480 0.76 GAA (0.41) GAAALDH1A1MAPTPOLB
SCHEMBL3169791 0.75 GPR3 (0.50) GPR3PTPN7DUSP3PTPN12PTPN22
Dibenzothiophene SCHEMBL11884108 0.74 GPR3 (0.67) GAAGPR3PTPN7DUSP3PTPN12
SCHEMBL23917090 0.72 GPR3 (0.78) GPR3PTPN7DUSP3PTPN12PTPN22
SCHEMBL30077259 0.72 GPR3 (0.78) GPR3PTPN7DUSP3PTPN12PTPN22
SCHEMBL1637414 0.72 GPR3 (0.78) GPR3PTPN7DUSP3PTPN12PTPN22
SCHEMBL30451427 0.72 GPR3 (0.78) GPR3PTPN7DUSP3PTPN12PTPN22
SCHEMBL7915404 0.71 CYP1A2 (0.60) GPR3PTPN7DUSP3PTPN12PTPN22
SCHEMBL7111037 0.71 MAPT (0.54) GAAGPR3PTPN7DUSP3PTPN12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334956-B1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL CO (JP) 2010-03-17 — — EP disclosed
US-6916938-B2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-12 — — US disclosed
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 — — US disclosed
EP-1334956-A2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-13 — — EP 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-20030171589-A1 Method for preparing sulfone or sulfoxide compound TST, SDHB, GPX4 GAA 3218/4885GPR3 4788/4885PTPN7 2926/4885

“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.

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