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Sugi Predict / Compounds / SCHEMBL14845964

SCHEMBL14845964

SCHEMBL14845964

C[C@@H](CN1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PLD1 Q13393 20/20 1.00
▸ PLD2 O14939 18/20 1.00

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
SCHEMBL14845960 0.91 PLD1 (1.00) PLD1PLD2
SCHEMBL14845970 0.89 PLD1 (1.00) PLD1PLD2
SCHEMBL14845951 0.87 PLD1 (1.00) PLD1PLD2
SCHEMBL16366659 0.87 PLD1 (0.84) PLD1PLD2
SCHEMBL14846033 0.85 PLD2 (1.00) PLD1PLD2
SCHEMBL4540618 0.83 PLD2 (1.00) PLD1PLD2
SCHEMBL14846026 0.83 PLD2 (1.00) PLD1PLD2
Hydrochloric Acid SCHEMBL30918137 0.82 PLD2 (0.98) PLD1PLD2
SCHEMBL14845961 0.79 PLD1 (1.00) PLD1PLD2
SCHEMBL19579362 0.79 PLD1 (1.00) PLD1PLD2

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-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2017-11-09 — — US disclosed
US-20160296506-A1 Methods and Compositions for Treating HIV Infection VANDERBILT UNIVERSITY 2016-10-13 — — US disclosed
US-9453017-B2 Antiviral therapies with phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2016-09-27 — — US disclosed
US-20150025041-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2015-01-22 — — US disclosed
US-20140378524-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY 2014-12-25 — — US disclosed
WO-2014093553-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION VANDERBILT UNIVERSITY (US) 2014-06-19 — — WO disclosed
WO-2014093557-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2014-06-19 — — WO disclosed
US-20140163055-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION VANDERBILT UNIVERSITY 2014-06-12 — — US disclosed
WO-2013049773-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2013-04-04 — — 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 (5 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-20140378524-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD PLD1 1/4885PLD2 2/4885
US-20160296506-A1 Methods and Compositions for Treating HIV Infection SMPD3, PLD3, SMPD1 PLD1 4/4885PLD2 5/4885
US-20140163055-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION PLD3, SMPD3, SMPD1 PLD1 4/4885PLD2 5/4885
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD PLD1 1/4885PLD2 2/4885
US-20150025041-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS PLD1, PLA2G2D, PLD2 PLD1 1/4885PLD2 3/4885

“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.