SCHEMBL5090111

SCHEMBL5090111

O=C(O)c1ccc(C(=O)C=Cc2ccc3cc(C(F)(F)F)ccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.65
CYSLTR2 Q9NS75 2/20 0.50
CYSLTR1 Q9Y271 2/20 0.50
CYP1A1 P04798 8/20 0.49
CYP1B1 Q16678 8/20 0.49
MAOB P27338 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
P4HB P07237 2/20 0.44
ALOX5 P09917 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL5090108 1.00 PFKFB3 (0.65) PFKFB3CYSLTR2CYSLTR1CYP1A1CYP1B1
SCHEMBL27665265 0.84 PFKFB3 (0.56) PFKFB3CYSLTR2CYSLTR1CYP1B1HDAC6
SCHEMBL5090157 0.81 PFKFB3 (0.57) PFKFB3CYP1A1CYP1B1HDAC6
SCHEMBL30209647 0.81 PFKFB3 (0.55) PFKFB3HDAC6BACE1
Pfk-158 SCHEMBL15287560 0.79 PFKFB3 (1.00) PFKFB3CYP1A1CYP1B1MAOBHDAC6
Pfk-158 SCHEMBL15287558 0.79 PFKFB3 (1.00) PFKFB3CYP1A1CYP1B1MAOBHDAC6
Pfk-158 SCHEMBL29534190 0.79 PFKFB3 (1.00) PFKFB3CYP1A1CYP1B1MAOBHDAC6
Pfk-158 SCHEMBL29538151 0.79 PFKFB3 (1.00) PFKFB3CYP1A1CYP1B1MAOBHDAC6
SCHEMBL5507715 0.78 PFKFB3 (0.74) PFKFB3CYSLTR2CYSLTR1HDAC6ALOX5
SCHEMBL10275157 0.78 PFKFB3 (0.74) PFKFB3CYSLTR2CYSLTR1HDAC6ALOX5

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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 WO 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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 PFKFB3 3216/4885CYSLTR2 1261/4885CYSLTR1 1328/4885

“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.