SCHEMBL6094751

SCHEMBL6094751

CC(C)(C)OC(=O)NCCc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
IDO1 P14902 4/20 0.49
KCNA5 P22460 1/20 0.48
FOLH1 Q04609 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
NAMPT P43490 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
BCHE P06276 1/20 0.43
GAA P10253 1/20 0.43
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL375762 0.92 MEN1 (0.48) NQO2IDO1KCNA5FOLH1MEN1
SCHEMBL29347085 0.89 TDP1 (0.51) NQO2KCNA5MEN1KMT2ASIGMAR1
SCHEMBL20777755 0.89 NQO2 (0.55) NQO2IDO1KCNA5MEN1KMT2A
SCHEMBL166559 0.87 LMNA (0.55) NQO2IDO1KCNA5MEN1KMT2A
SCHEMBL24086511 0.86 NQO2 (0.53) NQO2IDO1KCNA5MEN1KMT2A
SCHEMBL1808874 0.85 KCNA5 (0.56) NQO2IDO1KCNA5FOLH1MEN1
SCHEMBL26659635 0.84 KCNA5 (0.55) NQO2IDO1KCNA5FOLH1MEN1
SCHEMBL5467303 0.84 NQO2 (0.54) NQO2IDO1KCNA5MEN1KMT2A
SCHEMBL26673855 0.84 IDO1 (0.50) NQO2IDO1KCNA5LMNAMALT1
SCHEMBL28677441 0.83 NQO2 (0.51) NQO2IDO1KCNA5MEN1KMT2A

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
WO-2023069711-A1 FAP-TARGETED NEUTRON CAPTURE AGENTS, AND USES AND FORMULATIONS RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2023-04-27 WO disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
CN-111909044-A Synthesis method of 2- (alkylamino) ethyl benzoate compound 南京爱德程医药科技有限公司 2020-11-10 CN disclosed
US-7053122-B2 Therapeutic use of aryl amino acid derivatives PFIZER INC (US) 2006-05-30 US disclosed
US-20040138197-A1 Therapeutic use of aryl amino acid derivatives MAW GRAHAM NIGEL (GB) 2004-07-15 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 (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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A NQO2 3187/4885IDO1 1960/4885KCNA5 650/4885
US-20040138197-A1 Therapeutic use of aryl amino acid derivatives CNR1, HCRTR1, HTR6 NQO2 3479/4885IDO1 1265/4885KCNA5 645/4885

“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.