Sugi Predict

Sugi Predict / Compounds / SCHEMBL1115364

SCHEMBL1115364

SCHEMBL1115364

CC(C)(C)OC(=O)NC(C(N)=O)c1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4D Q6B0I6 1/20 0.41
▸ CTSS P25774 4/20 0.40
▸ CTSK P43235 4/20 0.40
▸ SCN9A Q15858 3/20 0.40
▸ S1PR3 Q99500 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ AAK1 Q2M2I8 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ GABRB1 P18505 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ FPR2 P25090 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ PTPN1 P18031 1/20 0.36

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
SCHEMBL29483428 1.00 KDM4D (0.41) KDM4DCTSSCTSKSCN9AS1PR3
SCHEMBL3822263 0.88 CTSS (0.43) KDM4DCTSSCTSKS1PR3TRPA1
SCHEMBL29571131 0.88 CTSS (0.43) KDM4DCTSSCTSKS1PR3TRPA1
SCHEMBL15670482 0.87 KDM4D (0.41) KDM4DCTSSCTSKSCN9AS1PR3
SCHEMBL23969949 0.83 AAK1 (0.40) KDM4DCTSSCTSKS1PR3TRPA1
SCHEMBL17041588 0.82 TRPA1 (0.44) KDM4DCTSSCTSKTRPA1AAK1
SCHEMBL20490965 0.79 CES2 (0.44) CES2CES1IDO1TDO2
SCHEMBL21180500 0.78 CTSS (0.46) KDM4DCTSSCTSKTRPA1
SCHEMBL28029154 0.78 KDM4D (0.40) KDM4DCTSSCTSKTRPA1AAK1
SCHEMBL1115072 0.78 CTSS (0.41) CTSSCTSKSCN9AS1PR3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS HOLDINGS, LLC 2020-06-04 — — US disclosed
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS HOLDINGS, LLC 2020-06-04 — — US disclosed
US-10357493-B2 Metalloenzyme inhibitor compounds SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2019-07-23 — — US disclosed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 — — US disclosed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 — — US disclosed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 — — US disclosed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 — — EP disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 — — WO disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 — — 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 (3 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-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 KDM4D 3433/4885CTSS 431/4885CTSK 249/4885
US-20110059940-A1 2-Aryl Glycinamide Derivatives IAPP, APP, BACE1 KDM4D 4624/4885CTSS 589/4885CTSK 706/4885
US-10357493-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 KDM4D 3433/4885CTSS 431/4885CTSK 249/4885

“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.