SCHEMBL1726733

SCHEMBL1726733

CC(C)(C)OC(=O)NCCC(=O)c1cccc(SCC2(O)CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 5/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
HIF1A Q16665 1/20 0.36
PARP1 P09874 1/20 0.36
NQO2 P16083 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
IDO1 P14902 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.35
PDK2 Q15119 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL1710665 0.99 ALDH1A1 (0.37) ALDH1A1MAPK1TDP1DRD2HPGD
SCHEMBL1726349 0.84 ALDH1A1 (0.38) ALDH1A1MAPK1TDP1HPGDGAA
SCHEMBL1710349 0.81 EPHX1 (0.39) ALDH1A1MAPTNQO2CA1CA2
SCHEMBL2178511 0.81 CA1 (0.40) ALDH1A1DRD2HPGDKDM4EGAA
SCHEMBL1725320 0.80 MALT1 (0.36) ALDH1A1MAPK1TDP1DRD2HPGD
SCHEMBL13400276 0.80 EPHX1 (0.41) ALDH1A1GAAMAPTNQO2CA1
SCHEMBL3134393 0.80 HTR2B (0.39) ALDH1A1DRD2HPGDKDM4EGAA
SCHEMBL2205201 0.80 TP53 (0.41) ALDH1A1TDP1DRD2HPGDKDM4E
SCHEMBL1726496 0.80 CYP3A4 (0.35) ALDH1A1MAPK1TDP1DRD2HPGD
SCHEMBL1710591 0.79 KMT2A (0.44) ALDH1A1HPGDKDM4EGAAMAPT

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 ALDH1A1 314/4885MAPK1 4602/4885TDP1 2438/4885

“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.