SCHEMBL2913109

SCHEMBL2913109

COC(=O)[C@H](COCCCl)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.56
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
CTSK P43235 10/20 0.53
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
CTSB P07858 2/20 0.50
CAPN1 P07384 1/20 0.48
CASP1 P29466 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
PPARG P37231 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
SCHEMBL21837386 0.90 KYNU (0.58) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL21837385 0.90 KYNU (0.58) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL28162782 0.89 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1832552 0.89 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1837491 0.89 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL5191992 0.89 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL16351361 0.88 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL31604948 0.88 KYNU (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL527104 0.87 CTSK (0.64) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL4387860 0.87 CTSK (0.64) KYNUALDH1A1ALOX15CTSKCTSS

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-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 KYNU 1784/4885ALDH1A1 139/4885ALOX15 39/4885

“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.