Sugi Predict

Sugi Predict / Compounds / SCHEMBL4088640

SCHEMBL4088640

SCHEMBL4088640

CC(C)(C)c1nc(C(=O)Nc2ccc(CCC(=O)O)cc2Cl)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ NR1H4 Q96RI1 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ KLF5 Q13887 1/20 0.37

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
SCHEMBL4090010 0.89 MEN1 (0.44) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL13901806 0.83 CNR1 (0.54) MAPK14POLBMAPTALDH1A1LMNA
SCHEMBL13901659 0.82 S1PR1 (0.41) POLBMAPT
SCHEMBL4015076 0.75 POLB (0.46) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL13901656 0.75 S1PR5 (0.43) POLB
SCHEMBL4083462 0.74 CA1 (0.43) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL13901918 0.74 CA1 (0.42) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL4010350 0.74 MAPT (0.49) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL13901809 0.73 CNR1 (0.54) MAPK14MAPTALDH1A1NR1H4HPGD
SCHEMBL13901803 0.73 NPC1 (0.43) NPSR1KDM4ENR1H4PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 — — US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 — — US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 — — US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 — — WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 — — WO disclosed
US-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 — — US disclosed
US-20050119292-A1 3-Cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2005-06-02 — — 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-20050119292-A1 3-Cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents H1-0, NGLY1, H1-5 MAPK14 2248/4885POLB 652/4885MAPT 4834/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 MAPK14 122/4885POLB 1544/4885MAPT 3755/4885

“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.