SCHEMBL5902685

SCHEMBL5902685

COC(=O)[C@@H](CO)NCCCCCCC#N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ ZDHHC20 Q5W0Z9 1/20 0.32
▸ ZDHHC2 Q9UIJ5 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ZDHHC7 Q9NXF8 1/20 0.30

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
SCHEMBL9308132 0.78 CA1 (0.44) ZDHHC7
SCHEMBL9308125 0.78 CA1 (0.44) ZDHHC7
SCHEMBL21998571 0.75 MCL1 (0.31) MME
SCHEMBL7278292 0.72 CTSS (0.41) MME
SCHEMBL7278294 0.72 CTSS (0.41) MME
SCHEMBL16382140 0.72 GGT1 (0.41) MMETGFBR1CYP2C9CYP2C19
SCHEMBL3070180 0.71 KMT2A (0.39) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL8245351 0.70 TGFBR1 (0.41) MMETGFBR1CYP2C9CYP2C19MEN1
SCHEMBL2503547 0.70 FOLH1 (0.44) MMECYP2C9CYP2C19
SCHEMBL13079149 0.70 EPHX1 (0.60) ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270721-A1 EP4 receptor agonist, compositions and methods thereof HAN YONGXIN 2006-11-30 — — US disclosed
US-7109223-B2 Oxazolidin-2-one and thiazolidin-2-one derivatives for use as EP4 receptor agonists in the treatment of glaucoma MERCK & CO. INC. (US) 2006-09-19 — — US disclosed
US-20060154899-A1 Oxazolidin-2-one and thiazolidin-2-one derivatives for use as ep4 receptor agonists in the treatment of glaucoma MERCK FROSST CANADA LTD. (CA) 2006-07-13 — — US disclosed
EP-1545517-A1 OXAZOLIDIN-2-ONE AND THIAZOLIDIN-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF GLAUCOMA Merck Frosst Canada & Co. (CA) 2005-06-29 — — EP disclosed
WO-2004019938-A1 OXAZOLIDIN-2-ONE AND THIAZOLIDIN-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF GLAUCOMA MERCK FROSST CANADA & CO. (CA) 2004-03-11 — — 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 (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-20060270721-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 MME 668/4885GBA1 1542/4885ZDHHC20 1673/4885
US-20060154899-A1 Oxazolidin-2-one and thiazolidin-2-one derivatives for use as ep4 receptor agonists in the treatment of glaucoma PTGER4, PTGER1, PTGER2 MME 1351/4885GBA1 2242/4885ZDHHC20 1780/4885

“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.

Send feedback