SCHEMBL4527322

SCHEMBL4527322

CCOC(=O)c1ccc(OCCCc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c(C(=O)N[C@H]2CC[C@@H](C(=O)OC)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.56
PLG P00747 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
APAF1 O14727 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 1/20 0.38
SMPD1 P17405 1/20 0.38
EGFR P00533 2/20 0.37
EZH2 Q15910 1/20 0.37
FFAR1 O14842 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL4508320 1.00 CYSLTR2 (0.56) CYSLTR2PLGPRSS1PRSS2PRSS3
SCHEMBL4521070 0.96 CYSLTR2 (0.52) CYSLTR2PLGPRSS1PRSS2PRSS3
SCHEMBL4521068 0.96 CYSLTR2 (0.52) CYSLTR2PLGPRSS1PRSS2PRSS3
SCHEMBL13918382 0.92 CYSLTR2 (0.66) CYSLTR2KMT2AMAPTMEN1RAB9A
SCHEMBL13918505 0.91 CYSLTR2 (0.52) CYSLTR2PLGPRSS1PRSS2PRSS3
SCHEMBL13918511 0.88 CYSLTR2 (0.62) CYSLTR2KMT2AMAPTMEN1RAB9A
SCHEMBL13918309 0.86 CYSLTR2 (0.68) CYSLTR2KMT2AMAPTMEN1EZH2
SCHEMBL13918341 0.85 CYSLTR2 (0.70) CYSLTR2KMT2AMAPTMEN1RAB9A
SCHEMBL4518895 0.85 CYSLTR2 (0.76) CYSLTR2KMT2AMEN1RAB9AEZH2
SCHEMBL4522451 0.85 CYSLTR2 (0.76) CYSLTR2KMT2AMEN1RAB9AEZH2

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
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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 (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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A CYSLTR2 1426/4885PLG 769/4885PRSS1 3843/4885

“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.