SCHEMBL2852986

SCHEMBL2852986

CCCCOC(=O)c1nc(N2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H](OC)C2)oc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSK P43235 3/20 0.37
CPB1 P15086 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 1/20 0.36
ATM Q13315 1/20 0.35
OPRK1 P41145 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
P2RY12 Q9H244 1/20 0.35
PTGES O14684 4/20 0.35
PTGS2 P35354 3/20 0.35

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
SCHEMBL2852983 1.00 TSHR (0.38) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL2848753 0.92 OPRK1 (0.41) TSHRALDH1A1CTSKCPB1SMPD3
SCHEMBL2848756 0.92 OPRK1 (0.41) TSHRALDH1A1CTSKCPB1SMPD3
SCHEMBL2848434 0.91 TSHR (0.39) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL2848438 0.91 TSHR (0.39) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL2852374 0.90 TSHR (0.38) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL2852371 0.90 TSHR (0.38) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL2854991 0.90 TSHR (0.38) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL2854986 0.90 TSHR (0.38) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL2850055 0.84 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4MAPK1TDP1

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
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TSHR 4153/4885ALDH1A1 3596/4885CYP3A4 345/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TSHR 4736/4885ALDH1A1 1220/4885CYP3A4 53/4885

“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.