SCHEMBL849186

SCHEMBL849186

Cc1cc(N2C(=O)CCC2COCCO[Si](C)(C)C(C)(C)C)cc(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 13/20 0.38
PTGDR Q13258 5/20 0.38
PTGER3 P43115 5/20 0.38
DUT P33316 1/20 0.35
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL849185 1.00 PTGER2 (0.38) PTGER2PTGDRPTGER3DUTALDH1A1
SCHEMBL16302378 0.92 PTGER2 (0.39) PTGER2PTGDRPTGER3DUTHDAC1
SCHEMBL848123 0.90 PTGER2 (0.36) PTGER2PTGDRPTGER3DUTALDH1A1
SCHEMBL850848 0.90 PTGER2 (0.36) PTGER2PTGDRPTGER3DUTALDH1A1
SCHEMBL13555131 0.81 PTGER2 (0.37) PTGER2PTGDRPTGER3ALDH1A1POLB
SCHEMBL16302337 0.79 PTGER2 (0.36) PTGER2PTGDRPTGER3DUTHDAC1
SCHEMBL850484 0.74 ALDH1A1 (0.36) PTGER2PTGDRPTGER3ALDH1A1POLB
SCHEMBL879707 0.73 TSHR (0.41) PTGER2PTGDRPTGER3ALDH1A1POLB
SCHEMBL850670 0.73 ALDH1A1 (0.36) DUTALDH1A1POLBTSHRNPSR1
SCHEMBL850669 0.73 ALDH1A1 (0.36) DUTALDH1A1POLBTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTGER2 2036/4885PTGDR 890/4885PTGER3 330/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTGER2 2036/4885PTGDR 890/4885PTGER3 330/4885

“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.