SCHEMBL6444677

SCHEMBL6444677

CC(C)C(NC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
MAPK1 P28482 1/20 0.39
FPR2 P25090 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 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
SCHEMBL6443429 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL21286468 0.86 CA2 (0.43) ALDH1A1SMN1; SMN2CA2POLB
SCHEMBL31683771 0.85 CA2 (0.38) ALDH1A1CA2CA1TP53TSHR
SCHEMBL13576867 0.83 CA2 (0.37) ALDH1A1SMN1; SMN2CA2CA1MMP1
SCHEMBL11649386 0.81 CA2 (0.36) ALDH1A1SMN1; SMN2CA2CA1MMP1
SCHEMBL21166799 0.81 CA2 (0.36) ALDH1A1SMN1; SMN2HPGDCA2POLB
SCHEMBL11649038 0.81 CA2 (0.36) ALDH1A1SMN1; SMN2CA2CA1MMP1
SCHEMBL30471231 0.81 CA2 (0.36) ALDH1A1SMN1; SMN2CA2POLB
SCHEMBL9341542 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL9805189 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAGAAHPGD

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032199-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XW LABORATORIES INC. (KY) 2021-02-04 US claimed
US-10836714-B2 Ketamine derivatives and compositions thereof XW LABORATORIES INC. (KY) 2020-11-17 US claimed
US-20200231540-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XW LABORATORIES INC. (KY) 2020-07-23 US claimed
US-10683262-B2 Ketamine derivatives and compositions thereof XW LABORATORIES INC. (KY) 2020-06-16 US claimed
EP-4681777-A2 PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2026-01-21 EP disclosed
EP-3737665-B1 PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF XWPHARMA LTD (KY) 2026-01-07 EP disclosed
US-20250122149-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2025-04-17 US disclosed
US-12209060-B2 Ketamine derivatives and compositions thereof XWPharma Ltd. (KY) 2025-01-28 US disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
CN-114805139-B Prodrugs of ketamine, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2023-10-20 CN disclosed
US-20220411365-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2022-12-29 US disclosed
US-11440874-B2 Ketamine derivatives and compositions thereof XWPharma Ltd. (KY) 2022-09-13 US disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
US-4758623-A Trifluoroacetylation of unhindered primary and secondary amines and polymer-bound trifluoroacetylation reagents SCHERING CORPORATION (US) 1988-07-19 US disclosed
US-3985723-A Trifluoroacetylation process THE UNIVERSITY OF MISSISSIPPI (US) 1976-10-12 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 (8 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-12209060-B2 Ketamine derivatives and compositions thereof OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-20210032199-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-11440874-B2 Ketamine derivatives and compositions thereof OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-10683262-B2 Ketamine derivatives and compositions thereof OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-20200231540-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-20250122149-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-20220411365-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-10836714-B2 Ketamine derivatives and compositions thereof OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885

“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.