SCHEMBL3487489

SCHEMBL3487489

CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
BTK Q06187 2/20 0.55
CTSK P43235 2/20 0.55
HSD11B1 P28845 7/20 0.52
CYP2C9 P11712 1/20 0.52
USP30 Q70CQ3 2/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
EPHX1 P07099 1/20 0.46
JAK3 P52333 1/20 0.45
MAP4K4 O95819 2/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL1467769 1.00 CA1 (0.71) CA1CA2BTKCTSKHSD11B1
SCHEMBL3487968 1.00 CA1 (0.71) CA1CA2BTKCTSKHSD11B1
SCHEMBL30175163 0.96 CA1 (0.66) CA1CA2BTKCTSKHSD11B1
SCHEMBL5556389 0.96 CA1 (0.66) CA1CA2BTKCTSKHSD11B1
SCHEMBL4042455 0.91 CTSK (0.61) CA1CA2BTKCTSKHSD11B1
SCHEMBL2049277 0.91 CTSK (0.61) CA1CA2BTKCTSKHSD11B1
SCHEMBL4044287 0.91 CTSK (0.61) CA1CA2BTKCTSKHSD11B1
SCHEMBL17545919 0.88 CA1 (0.71) CA1CA2BTKCTSKHSD11B1
SCHEMBL3619298 0.88 CA1 (0.60) CA1CA2BTKCTSKHSD11B1
SCHEMBL1159171 0.88 CA1 (0.71) CA1CA2BTKCTSKHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 EP disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 US disclosed
EP-2842939-A1 BENZAMIDE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 EP disclosed
EP-2842946-A1 QUINAZOLINEDIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 EP disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 CA1 2505/4885CA2 1343/4885BTK 2479/4885
US-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 CA1 3416/4885CA2 912/4885BTK 777/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 CA1 804/4885CA2 168/4885BTK 2111/4885
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE PPARD, SLC5A2, PPARG CA1 4628/4885CA2 1880/4885BTK 2470/4885

“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.