SCHEMBL3045357

SCHEMBL3045357

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MME P08473 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G5 P39877 1/20 0.43
FPR2 P25090 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
SDCBP O00560 1/20 0.38
SDC2 P34741 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
SCHEMBL1734807 1.00 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MMELMNA
SCHEMBL29851772 0.83 TP53 (0.46) ALDH1A1POLBSMN1; SMN2MMELMNA
SCHEMBL16481929 0.83 SMN1; SMN2 (0.44) ALDH1A1POLBSMN1; SMN2MMELMNA
SCHEMBL6376785 0.83 TP53 (0.46) ALDH1A1POLBSMN1; SMN2MMELMNA
SCHEMBL28452533 0.83 MME (0.46) ALDH1A1POLBSMN1; SMN2MMECA2
SCHEMBL28452532 0.83 MME (0.46) ALDH1A1POLBSMN1; SMN2MMECA2
SCHEMBL23432970 0.82 MME (0.43) ALDH1A1POLBMME
SCHEMBL13957532 0.82 ALDH1A1 (0.35) ALDH1A1POLBSMN1; SMN2MMELMNA
SCHEMBL19486077 0.82 CCR1 (0.36) ALDH1A1POLBSMN1; SMN2MMEGAA
SCHEMBL13957529 0.81 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2MMEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112135812-B Ketamine derivatives and pharmaceutical compositions thereof 凯瑞康宁生物工程(武汉)有限公司 2022-01-18 CN claimed
US-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2004-05-20 US claimed
EP-1294747-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2003-03-26 EP claimed
WO-2002002596-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2002-01-10 WO 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
US-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-04 US disclosed
CN-117858867-A SARS-COV-2 MPRO inhibitor compounds 赫普泰雅治疗有限公司 2024-04-09 CN disclosed
EP-4313305-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-07 EP disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2004-05-20 US disclosed
EP-1294747-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2003-03-26 EP disclosed
WO-2002002596-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2002-01-10 WO disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP 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 (6 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 2003/4885POLB 3849/4885SMN1; SMN2 581/4885
US-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, PML, APLNR ALDH1A1 2688/4885POLB 279/4885SMN1; SMN2 3509/4885
US-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS ACE2, SARS1, ACE ALDH1A1 2710/4885POLB 590/4885SMN1; SMN2 3131/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ALDH1A1 4236/4885POLB 578/4885SMN1; SMN2 2633/4885
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS ALDH1A1 1787/4885POLB 347/4885SMN1; SMN2 3365/4885
US-20250122149-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885POLB 3849/4885SMN1; SMN2 581/4885

“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.