SCHEMBL4097730

SCHEMBL4097730

CC(C)(C)C(=O)NC(C(=O)c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.44
▸ ANPEP P15144 1/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP26A1 O43174 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ USP2 O75604 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
SCHEMBL6707538 0.79 LTA4H (0.47) LTA4HANPEPPTGS2L3MBTL1KDM4E
SCHEMBL7047478 0.76 SLC6A9 (0.56) LTA4HPTGS2GAAL3MBTL1MEN1
SCHEMBL4978745 0.73 SLC6A9 (0.56) LTA4HLMNAGAAPOLBCYP3A4
SCHEMBL11814665 0.72 EPHX2 (0.46) LMNAGAACYP3A4CYP2C9CYP2C19
SCHEMBL6479736 0.70 LTA4H (0.47) LTA4HPTGS2L3MBTL1KDM4EPOLB
SCHEMBL2662926 0.70 LTA4H (0.55) LTA4HPTGS2LMNAGAAL3MBTL1
SCHEMBL6707539 0.70 ALDH1A1 (0.48) LMNAL3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL7047114 0.69 CTSK (0.55) MEN1KMT2A
SCHEMBL7355965 0.69 LTA4H (0.43) LTA4HPTGS2L3MBTL1KDM4EPOLB
SCHEMBL2763396 0.68 EPHX2 (0.55) PTGS2GAAPOLBKMT2ARAB9A

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-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 — — US disclosed
US-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 — — US disclosed
US-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 — — US disclosed
EP-1948168-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE Numerate, Inc (US) 2008-07-30 — — EP disclosed
WO-2007051065-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. (US) 2007-05-03 — — WO disclosed
WO-2007051065-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. (US) 2007-05-03 — — 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 (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-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 LTA4H 1592/4885ANPEP 4347/4885PTGS2 102/4885

“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.

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