SCHEMBL1710754

SCHEMBL1710754

CCCC(CCC)CSc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
NQO2 P16083 1/20 0.36
IDO1 P14902 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LTB4R Q15722 1/20 0.35
KCNA5 P22460 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
CTSS P25774 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
DRD2 P14416 1/20 0.33

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
SCHEMBL1725238 0.94 MALT1 (0.39) GPR88MALT1NQO2IDO1GAA
SCHEMBL1722455 0.87 LMNA (0.42) GPR88MALT1NQO2IDO1GAA
SCHEMBL3383860 0.84 MALT1 (0.36) GPR88MALT1NQO2IDO1GAA
SCHEMBL1710761 0.82 IDO1 (0.47) MALT1NQO2IDO1POLBMEN1
SCHEMBL1724922 0.82 MALT1 (0.38) GPR88MALT1NQO2IDO1GAA
SCHEMBL22700863 0.80 HIF1A (0.38) GAAKDM4ELTB4RLMNA
SCHEMBL1710407 0.80 EPHX1 (0.38) MALT1NQO2IDO1CTSKUTS2R
SCHEMBL15461613 0.80 LTB4R (0.39) GAAKDM4ELTB4RLMNA
SCHEMBL1725320 0.79 MALT1 (0.36) MALT1NQO2IDO1GAAPOLB
SCHEMBL13400278 0.79 CTSB (0.43) MALT1IDO1POLBCTSKKDM4E

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 GPR88 2573/4885MALT1 2589/4885NQO2 2067/4885

“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.