SCHEMBL2844701

SCHEMBL2844701

CC(F)(F)CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
HSD11B1 P28845 1/20 0.46
GPR119 Q8TDV5 4/20 0.40
USP30 Q70CQ3 2/20 0.40
STS P08842 1/20 0.40
HTR2A P28223 4/20 0.40
PTPRB P23467 1/20 0.40
PTPN11 Q06124 1/20 0.40
TACR1 P25103 1/20 0.39
PARP1 P09874 1/20 0.38
HTT P42858 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
SCHEMBL2844705 1.00 JAK2 (0.48) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2844266 0.91 HTR2A (0.42) HSD11B1HTR2AHTT
SCHEMBL2844268 0.91 HTR2A (0.42) HSD11B1HTR2AHTT
SCHEMBL2849224 0.89 JAK2 (0.49) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2849228 0.89 JAK2 (0.49) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2850358 0.88 JAK2 (0.52) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2850359 0.88 JAK2 (0.52) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL3805677 0.87 JAK2 (0.47) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2826417 0.87 JAK2 (0.47) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL3805674 0.87 JAK2 (0.47) JAK2JAK1HSD11B1GPR119USP30

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 JAK2 3941/4885JAK1 4124/4885HSD11B1 2069/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A JAK2 3424/4885JAK1 2927/4885HSD11B1 645/4885

“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.