SCHEMBL2890863

SCHEMBL2890863

COCc1cccc(C(C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.54
PTGS2 P35354 11/20 0.51
CXCR1 P25024 4/20 0.51
CXCR2 P25025 4/20 0.51
SLC22A6 Q4U2R8 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PMP22 Q01453 2/20 0.51
CXCL8 P10145 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
AKR1C3 P42330 6/20 0.46

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
SCHEMBL11157697 0.83 PTGS1 (0.50) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL9425565 0.81 PTGS2 (0.56) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL3674499 0.81 PTGS2 (0.69) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL11463656 0.81 AKR1C3 (0.70) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL1345158 0.80 PTGS2 (0.64) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL66533 0.80 PTGS2 (0.64) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL10276277 0.80 PTGS2 (0.54) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL6903957 0.80 PTGS2 (0.58) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL66534 0.80 PTGS2 (0.64) PTGS1PTGS2CXCR1CXCR2SLC22A6
SCHEMBL3242802 0.80 PTGS2 (0.54) PTGS1PTGS2CXCR1CXCR2SLC22A6

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-2098517-B1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE MSD KK (JP) 2013-12-18 EP disclosed
US-8367708-B2 Phenyl-isoxazol-3-ol derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2098517-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-09 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-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE GPR119, FFAR3, FFAR2 PTGS1 1872/4885PTGS2 1762/4885CXCR1 749/4885

“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.