SCHEMBL2847115

SCHEMBL2847115

CCO[C@H]1CN(C(=O)O)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.36
TOP2A P11388 2/20 0.34
ABCC2 Q92887 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
CNR1 P21554 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL2847118 1.00 ACKR3 (0.36) ACKR3TOP2AABCC2SMYD3CNR1
SCHEMBL13173537 0.93 ACKR3 (0.36) ACKR3TOP2AABCC2SMYD3CNR1
SCHEMBL2824516 0.93 ACKR3 (0.36) ACKR3TOP2AABCC2SMYD3CNR1
SCHEMBL2846474 0.93 HTR4 (0.34) TOP2AABCC2KCNH2HTR4
SCHEMBL2846475 0.93 HTR4 (0.34) TOP2AABCC2KCNH2HTR4
SCHEMBL2842898 0.91 ABCC2 (0.39) ABCC2HTR4
SCHEMBL2826840 0.91 ABCC2 (0.39) ABCC2HTR4
SCHEMBL2851247 0.91 TOP2A (0.33) ACKR3TOP2AABCC2KCNH2HTR4
SCHEMBL2849527 0.91 PTGES (0.36) TOP2AABCC2HTR4
SCHEMBL2851244 0.91 TOP2A (0.33) ACKR3TOP2AABCC2KCNH2HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137574-B Hydroxyalkyl thiadiazole derivatives 第一三共株式会社 2021-12-28 CN disclosed
EP-3356361-B1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2020-07-08 EP disclosed
US-10399968-B2 Hydroxyalkyl thiadiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-09-03 US disclosed
US-20180327399-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-11-15 US disclosed
EP-3356361-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-08 EP disclosed
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 (4 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-10399968-B2 Hydroxyalkyl thiadiazole derivatives TOP1, TOP2B, TOP2A ACKR3 3127/4885TOP2A 3/4885ABCC2 2306/4885
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ACKR3 4774/4885TOP2A 3/4885ABCC2 1441/4885
US-20180327399-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES TOP1, TOP2B, TOP2A ACKR3 3127/4885TOP2A 3/4885ABCC2 2306/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ACKR3 4703/4885TOP2A 3/4885ABCC2 849/4885

“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.