SCHEMBL1710752

SCHEMBL1710752

O=C(O)NCCC(O)c1cccc(SCC2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.38
KDM4E B2RXH2 1/20 0.37
AGTR2 P50052 1/20 0.36
CTSK P43235 3/20 0.36
METAP2 P50579 1/20 0.35

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
SCHEMBL1710885 0.89 BCHE (0.37) BCHEKDM4ECTSK
SCHEMBL16031904 0.89 AGTR2 (0.35) AGTR2CTSK
SCHEMBL16031201 0.89 GCK (0.36) AGTR2
SCHEMBL3390167 0.88 CTSK (0.37) AGTR2CTSK
SCHEMBL16031844 0.88 HPGD (0.34) AGTR2CTSK
SCHEMBL1724178 0.87 ROCK2 (0.35) AGTR2CTSK
SCHEMBL13400239 0.87 HDAC6 (0.38) BCHECTSK
SCHEMBL13400259 0.87 HDAC6 (0.38) BCHECTSK
SCHEMBL1710635 0.85 HTR2A (0.37) BCHEKDM4ECTSK
SCHEMBL1725728 0.85 EPHX1 (0.39) BCHECTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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 (1 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 BCHE 2468/4885KDM4E 3778/4885AGTR2 3702/4885

“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.