SCHEMBL4472450

SCHEMBL4472450

C[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
LIPG Q9Y5X9 7/20 0.48
LPL P06858 6/20 0.48
F11 P03951 3/20 0.47
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
P4HB P07237 1/20 0.41
ACACB O00763 1/20 0.41
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL14672691 1.00 ESR2 (0.49) ESR2LIPGLPLF11F2
SCHEMBL5893200 0.84 ESR2 (0.47) ESR2LIPGLPLF11F2
SCHEMBL13935035 0.83 F11 (0.47) ESR2LIPGLPLF11F2
SCHEMBL2592447 0.82 AAK1 (0.55) ESR2LIPGLPLF11F2
SCHEMBL27635135 0.82 ATM (0.47) ESR2LIPGF2NPC1RAB9A
SCHEMBL29455617 0.82 ESR2 (0.57) ESR2LIPGLPLF11F2
SCHEMBL16501554 0.81 ESR2 (0.52) ESR2LIPGLPLF11F2
SCHEMBL16468557 0.80 AAK1 (0.50) LIPGLPLCA1CA2CA9
SCHEMBL16468297 0.80 AAK1 (0.50) LIPGLPLCA1CA2CA9
SCHEMBL16468492 0.80 AAK1 (0.50) LIPGLPLCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ESR2 372/4885LIPG 3791/4885LPL 4015/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ESR2 3320/4885LIPG 4786/4885LPL 4774/4885

“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.