SCHEMBL4912255

SCHEMBL4912255

COC(=O)c1ccc2c(c1)C(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.55
NPY5R Q15761 2/20 0.38
CNR2 P34972 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL4919176 0.84 HTR2B (0.49) PDK2
SCHEMBL21135534 0.82 PDK2 (0.61) PDK2ALOX5
SCHEMBL5080883 0.82 APEX1 (0.35) PDK2
SCHEMBL4918215 0.80 PDK2 (0.61) PDK2ALOX5
SCHEMBL5082289 0.79 PDK2 (0.43) PDK2
SCHEMBL5081756 0.78 PDK2 (0.34) PDK2
SCHEMBL5080936 0.75 PDK2 (0.32) PDK2
SCHEMBL5080942 0.73 PDK2 (0.34) PDK2
SCHEMBL4910149 0.73 PDK2 (0.59) PDK2
SCHEMBL4910213 0.72 PDK2 (0.68) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A PDK2 4410/4885NPY5R 121/4885CNR2 32/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C PDK2 4775/4885NPY5R 72/4885CNR2 52/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B PDK2 4110/4885NPY5R 170/4885CNR2 64/4885

“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.