SCHEMBL3311113

SCHEMBL3311113

O=C(O)CNCC(CO)N(CC(=O)O)CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL124244 0.85
SCHEMBL233605 0.85 ALDH1A1 (0.31) ALDH1A1LMNAMAPTPTGS2TDP1
Water SCHEMBL11545902 0.84
SCHEMBL8735309 0.84
SCHEMBL5580135 0.83 ALDH1A1 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL8989385 0.81
Nitrilotriacetic Acid SCHEMBL7616551 0.81 TDP1 (0.32) LMNATDP1
Edetic Acid SCHEMBL3865960 0.79 TDP1 (0.42) LMNATDP1
Pentetic Acid SCHEMBL8656975 0.77 TDP1 (0.44) LMNAMAPTTDP1
SCHEMBL9771357 0.77 TDP1 (0.37) LMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155162-B1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME BAUSCH & LOMB (US) 2012-11-21 EP claimed
EP-2155162-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME Bausch & Lomb Incorporated (US) 2010-02-24 EP claimed
WO-2008137496-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME BAUSCH & LOMB INCORPORATED (US) 2008-11-13 WO claimed
US-20080275000-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME SALIX PHARMACEUTICALS, INC. 2008-11-06 US claimed
CN-110073051-B Method for treating fiber product 花王株式会社 2021-12-24 CN disclosed
CN-109863269-B Finishing agent composition for fiber product 花王株式会社 2021-11-19 CN disclosed
EP-3561175-A1 METHOD FOR PROCESSING FIBER PRODUCT Kao Corporation (JP) 2019-10-30 EP disclosed
EP-3467081-A1 DETERGENT COMPOSITION FOR FIBRES Kao Corporation (JP) 2019-04-10 EP disclosed
US-8415342-B2 Besifloxacin ophthalmic composition for the treatment or control of infection BAUSCH & LOMB INCORPORATED (US) 2013-04-09 US disclosed
EP-2155162-B1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME BAUSCH & LOMB (US) 2012-11-21 EP disclosed
WO-2010051291-A1 BESIFLOXACIN OPHTHALMIC COMPOSITION FOR THE TREATMENT OR CONTROL OF INFECTION BAUSCH & LOMB INCORPORATED (US) 2010-05-06 WO disclosed
US-20100105662-A1 Besifloxacin Ophthalmic Composition for the Treatment or Control of Infection MEDICIS PHARMACEUTICAL CORPORATION 2010-04-29 US disclosed
EP-2155162-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME Bausch & Lomb Incorporated (US) 2010-02-24 EP disclosed
US-20080280853-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME BAUSCH & LOMB INCORPORATED 2008-11-13 US disclosed
WO-2008137826-A2 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME BAUSCH & LOMB INCORPORATED (US) 2008-11-13 WO disclosed
WO-2008137496-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME BAUSCH & LOMB INCORPORATED (US) 2008-11-13 WO disclosed
US-20080275000-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME SALIX PHARMACEUTICALS, INC. 2008-11-06 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 (3 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-20080275000-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME PDE6D, PDE6H, CA2 ALDH1A1 993/4885LMNA 3687/4885MAPT 4239/4885
US-20080280853-A1 COMPOSITIONS FOR REDUCING, AMELIORATING, TREATING, OR PREVENTING CONDITION OF DRY EYE AND METHODS OF MAKING AND USING SAME CA2, IDUA, CA6 ALDH1A1 633/4885LMNA 3568/4885MAPT 3870/4885
US-20100105662-A1 Besifloxacin Ophthalmic Composition for the Treatment or Control of Infection BLM, BROX, CRYAB ALDH1A1 4717/4885LMNA 3732/4885MAPT 561/4885

“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.