SCHEMBL16557481

SCHEMBL16557481

COc1ccc(C)cc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.76
▸ KMT2A Q03164 4/20 0.76
▸ HTT P42858 3/20 0.68
▸ POLB P06746 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ MAPT P10636 2/20 0.61
▸ TSHR P16473 1/20 0.58
▸ LMNA P02545 2/20 0.57
▸ HPGD P15428 1/20 0.56

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
SCHEMBL16557462 0.89 HPGD (0.70) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL16557575 0.88 POLB (0.81) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL16557426 0.86 MEN1 (0.71) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL16557557 0.83 HPGD (0.74) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL16557559 0.82 HPGD (0.67) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL16557561 0.82 HPGD (0.65) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL16557467 0.81 MAPT (0.67) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL16557563 0.81 HPGD (0.83) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL15583957 0.80 MEN1 (0.72) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL16560505 0.79 HPGD (0.80) MEN1KMT2APOLBMAPTTSHR

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 MEN1 4530/4885KMT2A 4177/4885HTT 3876/4885
US-20150072998-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY PTGS1, HPGD, PTGIS MEN1 4530/4885KMT2A 4177/4885HTT 3876/4885

“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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