SCHEMBL7144510

SCHEMBL7144510

Cc1ccc(NC(=O)C(C)(C)C)c(C(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ PDK1 Q15118 4/20 0.46
▸ PDK2 Q15119 4/20 0.46
▸ PDK3 Q15120 4/20 0.46
▸ PDK4 Q16654 4/20 0.46
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CETP P11597 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPARG P37231 1/20 0.38

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
SCHEMBL30572402 0.84 RAB9A (0.53) LMNAPDK1PDK2PDK3PDK4
SCHEMBL2472815 0.84 RAB9A (0.53) LMNAPDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL31498256 0.81 RAB9A (0.51) LMNAPDK1PDK2PDK3PDK4
SCHEMBL14560624 0.80 PDK1 (0.55) LMNAPDK1PDK2PDK3PDK4
SCHEMBL2403082 0.78 MEN1 (0.57) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2404746 0.75 PDK1 (0.43) PDK1PDK2PDK3PDK4MEN1
SCHEMBL15049327 0.74 PDK1 (0.47) LMNAPDK1PDK2PDK3PDK4
SCHEMBL15946914 0.74 ALDH1A1 (0.52) LMNAPDK1PDK2PDK3PDK4
SCHEMBL34473349 0.74 ALDH1A1 (0.52) LMNAPDK1PDK2PDK3PDK4
SCHEMBL7145918 0.74 L3MBTL1 (0.46) LMNAPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359147-A1 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and processes for making the same Bristol-Myers Squibb Pharma Company (US) 2003-11-05 — — EP disclosed
US-6492515-B2 FOR THERAPY OF HIV INFECTION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-10 — — US disclosed
US-20020040138-A1 4,4-disubstituted-1, 4-dihydro-2H-3, 1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-04 — — US disclosed
US-6303780-B1 4,4-disubstituted-1,4-dihydro-2h-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DUPONT PHARMACEUTICALS COMPANY 2001-10-16 — — US disclosed
US-6140499-A 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DUPONT PHARMACEUTICAL COMPANY (US) 2000-10-31 — — US disclosed
EP-0929533-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME Du Pont Pharmaceuticals Company (US) 1999-07-21 — — EP disclosed
US-5874430-A COMPOUNDS AS PROTEASE, REVERSE TRANSCRIPTASE INHIBITORS FOR DIAGNOSIS DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-23 — — US disclosed
WO-1998014436-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-09 — — 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-20020040138-A1 4,4-disubstituted-1, 4-dihydro-2H-3, 1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DHX15, CYP4X1, DPYD LMNA 1481/4885PDK1 1645/4885PDK2 979/4885

“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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