SCHEMBL3387017

SCHEMBL3387017

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(CSc2cccc(C(O)CCNC(=O)OC(C)(C)C)c2)C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.34
NQO2 P16083 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
IDO1 P14902 2/20 0.33
POLB P06746 1/20 0.33
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KCNA5 P22460 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
GPR88 Q9GZN0 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
SCHEMBL1727499 0.86 LTB4R (0.32)
SCHEMBL1710407 0.83 EPHX1 (0.38) MALT1NQO2UTS2RIDO1CTSK
SCHEMBL1725728 0.82 EPHX1 (0.39) MALT1NQO2MEN1KMT2ACTSS
SCHEMBL1710482 0.81 NQO2 (0.34) MALT1NQO2IDO1POLBKDM4E
SCHEMBL1710993 0.81 CA2 (0.39) MALT1NQO2RORCHPGDKCNA5
SCHEMBL1725238 0.81 MALT1 (0.39) MALT1NQO2UTS2RIDO1POLB
SCHEMBL1724792 0.79 IL1B (0.36) MALT1NQO2UTS2RIDO1POLB
SCHEMBL1710484 0.79
SCHEMBL1710754 0.79 GPR88 (0.39) MALT1NQO2UTS2RIDO1POLB
SCHEMBL1710538 0.79 IDO1 (0.34) MALT1NQO2UTS2RIDO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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 (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 MALT1 2589/4885NQO2 2067/4885UTS2R 544/4885

“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.