SCHEMBL21488045

SCHEMBL21488045

[CH2]OC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA2 P00918 2/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MLYCD O95822 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
CA1 P00915 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL21488593 0.81 CA2 (0.34) ALDH1A1CA2MLYCDESR1KCNH2
SCHEMBL6446520 0.80 PSENEN (0.41) ALDH1A1HPGDCA14CA2PSENEN
SCHEMBL21488681 0.79 ALDH1A1 (0.34) ALDH1A1HPGDCA12CA14CA2
SCHEMBL6443429 0.76 ALDH1A1 (0.42) ALDH1A1HPGDCA2GAATSHR
SCHEMBL21488437 0.76 CA12 (0.36) ALDH1A1CA12CA14MAPTHSD17B10
SCHEMBL6444677 0.76 ALDH1A1 (0.42) ALDH1A1HPGDCA2GAATSHR
SCHEMBL13576867 0.76 CA2 (0.37) ALDH1A1CA2MLYCDMEN1KMT2A
SCHEMBL21488489 0.75 CA12 (0.35) ALDH1A1CA12CA14MAPTHSD17B10
SCHEMBL21166799 0.75 CA2 (0.36) ALDH1A1HPGDCA2MLYCDESR1
SCHEMBL11649038 0.75 CA2 (0.36) ALDH1A1CA2MLYCDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908571-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2021-11-17 EP claimed
WO-2020143198-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XW LABORATORIES INC. (KY) 2020-07-16 WO claimed
US-20190322618-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2019-10-24 US claimed
EP-4384145-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2024-06-19 EP disclosed
US-20230285325-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2023-09-14 US disclosed
US-11690811-B2 Pharmaceutical compositions and oral dosage forms of ketamine derivatives XWPharma Ltd. (KY) 2023-07-04 US disclosed
US-20230098084-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2023-03-30 US disclosed
WO-2023018966-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2023-02-16 WO disclosed
EP-3908571-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2021-11-17 EP disclosed
WO-2020143198-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XW LABORATORIES INC. (KY) 2020-07-16 WO disclosed
US-20190322618-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2019-10-24 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 (4 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-20190322618-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885HPGD 1263/4885CA12 4848/4885
US-11690811-B2 Pharmaceutical compositions and oral dosage forms of ketamine derivatives OPRK1, KCNK5, KCNK17 ALDH1A1 2360/4885HPGD 556/4885CA12 4117/4885
US-20230098084-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES OPRK1, KCNK5, KCNK17 ALDH1A1 2360/4885HPGD 556/4885CA12 4117/4885
US-20230285325-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES OPRK1, KCNK5, KCNK17 ALDH1A1 2360/4885HPGD 556/4885CA12 4117/4885

“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.