SCHEMBL20640002

SCHEMBL20640002

CC(C)(C)C(O)c1ccc(N2CCN(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
F11 P03951 3/20 0.38
LPL P06858 12/20 0.38
LIPG Q9Y5X9 12/20 0.38
AAK1 Q2M2I8 1/20 0.34
FFAR1 O14842 1/20 0.34
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL20640052 0.88 LPL (0.39) ESR2F11LPLLIPGF2
SCHEMBL15774823 0.87 LPL (0.47) ESR2F11LPLLIPGAAK1
SCHEMBL20640034 0.85 ESR2 (0.39) ESR2F11LPLLIPGCA1
SCHEMBL20644417 0.85 ESR2 (0.41) ESR2F11LPLLIPGCA1
SCHEMBL20639909 0.83 USP30 (0.36) ESR2F11LPLLIPGAAK1
SCHEMBL20639996 0.82 LPL (0.42) ESR2F11LPLLIPG
SCHEMBL20639989 0.81 ESR2 (0.38) ESR2F11LPLLIPGCA1
SCHEMBL20639612 0.80 LPL (0.41) F11LPLLIPGFFAR1F2
SCHEMBL20639870 0.80 ESR2 (0.40) ESR2F11LPLLIPG
SCHEMBL14852312 0.79 LPL (0.42) ESR2F11LPLLIPGFFAR1

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
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
CN-108779094-B Metalloenzyme inhibitor compounds NQP 1598公司 2021-11-16 CN disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ESR2 1372/4885F11 2587/4885LPL 284/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO ESR2 1372/4885F11 2587/4885LPL 284/4885

“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.