SCHEMBL4826902

SCHEMBL4826902

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(Cc3ccccc3)c2-c2ccc(F)cc2)cc1)OCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
BTK Q06187 2/20 0.40
CCNC P24863 7/20 0.39
CDK8 P49336 7/20 0.39
EGFR P00533 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
NPY5R Q15761 1/20 0.39
PTGER4 P35408 1/20 0.38
CDK19 Q9BWU1 2/20 0.38
HDAC2 Q92769 4/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL4831310 0.91 CCNC (0.42) BTKCCNCCDK8EGFRMMP1
SCHEMBL4831264 0.88 EGFR (0.43) PTGDR2CCNCCDK8EGFRMMP1
SCHEMBL4831275 0.88 EGFR (0.43) PTGDR2CCNCCDK8EGFRMMP1
SCHEMBL4829084 0.88 BTK (0.41) BTKCCNCCDK8EGFRMMP1
SCHEMBL1060125 0.88 BTK (0.41) BTKCCNCCDK8EGFRMMP1
SCHEMBL4831206 0.84 SMN1; SMN2 (0.54) HDAC2HDAC1
SCHEMBL4829174 0.84 CCNC (0.43) BTKCCNCCDK8EGFRNPY5R
SCHEMBL4831284 0.83 CCNC (0.42) CCNCCDK8EGFRMMP1MMP2
SCHEMBL6429798 0.83 MMP1 (0.46) PTGDR2CCNCCDK8EGFRMMP1
SCHEMBL4826913 0.82 CCNC (0.39) PTGDR2CCNCCDK8EGFRMMP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PTGDR2 214/4885BTK 3555/4885CCNC 2548/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PTGDR2 214/4885BTK 3555/4885CCNC 2548/4885

“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.