SCHEMBL26413565

SCHEMBL26413565

CNN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.43
▸ PTGES O14684 2/20 0.42
▸ HSD11B1 P28845 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MMP13 P45452 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ HTR6 P50406 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL26413575 0.87 PTGES (0.47) F2PTGESKMT2AMMP13CA1
SCHEMBL11514144 0.84 F2 (0.41) F2PTGESHSD11B1KMT2AMMP13
SCHEMBL28034923 0.80 HSD11B1 (0.56) F2HSD11B1KMT2AMMP13CCR5
SCHEMBL11512462 0.77 AKT1 (0.43) HSD11B1KMT2AMMP13CA12CA1
SCHEMBL26413544 0.77 HSD11B1 (0.45) F2HSD11B1KMT2AMMP13CCR5
SCHEMBL26413513 0.76 HSD11B1 (0.44) F2HSD11B1KMT2AMMP13CCR5
SCHEMBL28610867 0.75 ESR1 (0.46) F2HSD11B1KMT2AMMP13CA12
SCHEMBL10829784 0.71 PTGES (0.43) F2PTGESKMT2AALDH1A1
SCHEMBL1511696 0.71 F2 (0.37) F2HSD11B1KMT2AMMP13CA12
SCHEMBL3836513 0.71 CCR5 (0.41) F2HSD11B1KMT2ACCR5ALDH1A1

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-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION CANON KK (JP) 2023-04-27 — — 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-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION GRIA1, GRIN1, NR3C1 F2 1882/4885PTGES 2179/4885HSD11B1 403/4885

“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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