SCHEMBL879389

SCHEMBL879389

C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)CN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
NPY5R Q15761 11/20 0.59
AOC3 Q16853 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
NPY2R P49146 1/20 0.50
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL8561317 1.00 GAA (1.00) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL8285851 1.00 GAA (1.00) GAANPY5RAOC3KDM4EALDH1A1
Water SCHEMBL3312040 0.98 GAA (0.97) GAANPY5RAOC3KDM4EALDH1A1
Water SCHEMBL864746 0.98 GAA (0.97) GAANPY5RAOC3KDM4EALDH1A1
Water SCHEMBL3312041 0.98 GAA (0.97) GAANPY5RAOC3KDM4EALDH1A1
Water SCHEMBL864745 0.98 GAA (0.97) GAANPY5RAOC3KDM4EALDH1A1
Water SCHEMBL7871774 0.98 GAA (0.97) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL25409408 0.89 GAA (0.80) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL4992458 0.89 GAA (0.80) GAANPY5RAOC3KDM4EALDH1A1
SCHEMBL5804993 0.89 GAA (0.80) GAANPY5RAOC3KDM4EALDH1A1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807268-B1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON SPA (IT) 2024-01-24 EP disclosed
EP-2988597-B1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE HARVARD COLLEGE (US) 2022-06-08 EP disclosed
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON S.P.A. (IT) 2021-08-12 US disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-10913764-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-02-09 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
US-9982005-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-29 US disclosed
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 US disclosed
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20070258947-A1 Depeptidized Inhibitors of Hepatitis C Virus NS3 Protease SCHERING CORPORATION 2007-11-08 US disclosed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
US-7253160-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-08-07 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 (7 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GAA 3533/4885NPY5R 3588/4885AOC3 2427/4885
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 GAA 326/4885NPY5R 4422/4885AOC3 4038/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 GAA 3533/4885NPY5R 3588/4885AOC3 2427/4885
US-10913764-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 GAA 669/4885NPY5R 4375/4885AOC3 2200/4885
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST LIFR, FLT3, F12 GAA 2413/4885NPY5R 3671/4885AOC3 714/4885
US-20070258947-A1 Depeptidized Inhibitors of Hepatitis C Virus NS3 Protease DPP3, DPP7, DPP4 GAA 160/4885NPY5R 4204/4885AOC3 2963/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GAA 3533/4885NPY5R 3588/4885AOC3 2427/4885

“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.