SCHEMBL16557604

SCHEMBL16557604

COc1ccc(C)c(N(CC(=O)OC(C)C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 8/20 0.57
▸ NFE2L2 Q16236 8/20 0.57
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 6/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL15583844 0.89 MAPT (0.68) KEAP1NFE2L2POLBMAPTHPGD
SCHEMBL16557608 0.89 KEAP1 (0.61) KEAP1NFE2L2POLBMAPTHPGD
SCHEMBL16557443 0.88 ALDH1A1 (0.52) KEAP1NFE2L2POLBMAPTHPGD
SCHEMBL16557592 0.87 KEAP1 (0.59) KEAP1NFE2L2POLBMAPTHPGD
SCHEMBL16557594 0.86 KEAP1 (0.75) KEAP1NFE2L2
SCHEMBL16557607 0.85 KEAP1 (0.57) KEAP1NFE2L2POLBMAPTHPGD
SCHEMBL16557610 0.84 KEAP1 (0.56) KEAP1NFE2L2POLBMAPTHPGD
SCHEMBL16557450 0.81 POLB (0.53) KEAP1NFE2L2POLBMAPTHPGD
SCHEMBL16557615 0.79 OXTR (0.62) MAPTHPGD
SCHEMBL16557613 0.78 MAPT (0.68) MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790233-B2 Compositions and methods of modulating 15-PGDH activity CASE WESTERN RESERVE UNIVERSITY (US) 2017-10-17 — — US disclosed
US-20170165241-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-15 — — US disclosed
US-20150072998-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-03-12 — — 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 (2 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-20170165241-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY PTGS1, HPGD, PTGIS KEAP1 882/4885NFE2L2 613/4885POLB 1826/4885
US-20150072998-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY PTGS1, HPGD, PTGIS KEAP1 882/4885NFE2L2 613/4885POLB 1826/4885

“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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