SCHEMBL16080271

SCHEMBL16080271

CC(C)[Si](O[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.40
PREP P48147 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL15185033 0.83 NPC1 (0.43) PREPPDK1PDK2PDK3PDK4
SCHEMBL29560191 0.80 SMN1; SMN2 (0.45) PREPPDK1PDK2PDK3PDK4
SCHEMBL13303248 0.79 ACE2 (0.48) ACE2PREPPDK1PDK2PDK3
SCHEMBL13303246 0.79 ACE2 (0.48) ACE2PREPPDK1PDK2PDK3
SCHEMBL12123905 0.78 HTT (0.47) PREPKLK7KLK5NPC1RAB9A
SCHEMBL1326915 0.78 HTT (0.47) PREPKLK7KLK5NPC1RAB9A
SCHEMBL29410727 0.78 HTT (0.47) PREPKLK7KLK5NPC1RAB9A
SCHEMBL29510871 0.77 PDK1 (0.44) PREPPDK1PDK2PDK3PDK4
SCHEMBL29879078 0.77 PREP (0.45) ACE2PREPKLK7KLK5NPC1
SCHEMBL29302826 0.77 PREP (0.45) ACE2PREPKLK7KLK5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 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-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 ACE2 1553/4885PREP 2042/4885KLK7 2700/4885

“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.