Sugi Predict

Sugi Predict / Compounds / SCHEMBL354020

SCHEMBL354020

SCHEMBL354020

COC(=O)c1ccc2c(c1)CCC(Oc1ccnc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.48
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL355744 0.92 USP30 (0.48) USP30MAPTNPSR1HDAC4ALPL
SCHEMBL355819 0.81 FAAH (0.38) MAPTRAF1EPHX2MEN1KMT2A
SCHEMBL354136 0.79 PKM (0.37) MAPTGPR119NPC1RAB9A
SCHEMBL356033 0.79 KDM4E (0.40) EPHX2L3MBTL1
SCHEMBL356172 0.78 CSF1R (0.43) MAPTMEN1KMT2A
SCHEMBL14127774 0.77 GPR119 (0.51) RAF1EPHX2ALDH1A1GPR119
SCHEMBL355578 0.77 NPC1 (0.49) RAF1KMT2ANPC1RAB9A
SCHEMBL354936 0.75 HDAC8 (0.43) —
SCHEMBL13158258 0.75 GPR119 (0.50) USP30RAF1EPHX2GPR119
SCHEMBL356071 0.75 IP6K1 (0.38) EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 USP30 1272/4885MAPT 1965/4885NPSR1 1022/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 USP30 916/4885MAPT 1299/4885NPSR1 1237/4885

“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.