SCHEMBL4544394

SCHEMBL4544394

CNC(=O)C(C)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.40
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 1/20 0.37
MMP2 P08253 5/20 0.37
MMP3 P08254 5/20 0.37
MMP1 P03956 3/20 0.37
MMP7 P09237 1/20 0.37
CYP1A2 P05177 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
MME P08473 2/20 0.35

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
SCHEMBL14387040 1.00 BMP1 (0.40) BMP1SLC22A6TDP1ALDH1A1LMNA
SCHEMBL24312057 0.81 MMP2 (0.32) BMP1TDP1ALDH1A1LMNAMAPT
SCHEMBL13058954 0.80 ALDH1A1 (0.48) TDP1ALDH1A1MMP2MMP3MMP1
SCHEMBL27578968 0.80 TSHR (0.46) BMP1SLC22A6TDP1ALDH1A1LMNA
SCHEMBL25773392 0.80 MMP9 (0.37) BMP1TDP1ALDH1A1LMNAMAPT
SCHEMBL14355660 0.78 MME (0.38) SLC22A6TDP1ALDH1A1LMNAMAPT
SCHEMBL19704970 0.78 ECE1 (0.39) BMP1MMP2MMP3MMP1
SCHEMBL19194706 0.78 MME (0.38) SLC22A6TDP1ALDH1A1LMNAMAPT
SCHEMBL9911498 0.78 MME (0.38) SLC22A6TDP1ALDH1A1LMNAMAPT
SCHEMBL13697033 0.78 HIF1A (0.40) SLC22A6TDP1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110905-A1 ANTI-CEA ANTIBODY DRUG CONJUGATES AND METHODS OF USE BEIGENE, LTD. (KY) 2024-05-30 WO disclosed
EP-4289857-A1 DRUG CONJUGATE OF GLUCOCORTICOID RECEPTOR AGONIST, AND APPLICATION THEREOF IN MEDICINE Shanghai Senhui Medicine Co., Ltd. (CN) 2023-12-13 EP disclosed
WO-2023225336-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023215740-A1 IMMUNOMODULATORY ANTIBODY-DRUG CONJUGATES SEAGEN INC. (US) 2023-11-09 WO disclosed
US-20230338564-A1 NEODEGRADER CONJUGATES ORUM THERAPEUTICS, INC. (FR) 2023-10-26 US disclosed
WO-2023178641-A1 DNA TOXIC DIMER COMPOUND AND CONJUGATE THEREOF 成都百利多特生物药业有限责任公司 2023-09-28 WO disclosed
WO-2023125530-A1 ANTIBODY DRUG CONJUGATES BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-20230190966-A1 COMPOSITIONS USEFUL FOR TREATING GM1 GANGLIOSIDOSIS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2023-06-22 US disclosed
US-20090151944-A1 Use of Polyimides in Treating Subterranean Formations SCHLUMBERGER TECHNOLOGY CORPORATION 2009-06-18 US disclosed
EP-1803780-B1 Contrast dyes for inkjet lithographic printing plates AGFA GRAPHICS NV (BE) 2009-03-25 EP disclosed
US-20090041714-A1 Binding element comprising polyethylene glycol and antihemophilic factor for use in treatment of hemophilia NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-02-12 US disclosed
US-20080261849-A1 Composition RECKITT BENCKISER N.V. (NL) 2008-10-23 US disclosed
US-20080146771-A1 Maleamic acid polymer derivatives and their bioconjugates NEKTAR THERAPEUTICS 2008-06-19 US disclosed
US-20080058504-A1 Water soluble polyoxyethylene glylcol polyvinylpyrrolidone, polyvinyl alcohol, polyoxazoline, and/or polyacryloylmorpholine, conjugated to antihemophilic factor NEKTAR THERAPEUTICS 2008-03-06 US disclosed
EP-1803780-A1 Contrast dyes for inkjet lithographic printing plates Agfa Graphics N.V. (BE) 2007-07-04 EP disclosed
US-20070104757-A1 LATENT REACTIVE BLOOD COMPATIBLE AGENTS Surmodics Coatings, LLC 2007-05-10 US disclosed
US-20070082022-A1 LATENT REACTIVE BLOOD COMPATIBLE AGENTS Surmodics Coatings, LLC 2007-04-12 US disclosed
US-20070039365-A1 Slow-release fertilizer and method of making and using same REGAL CHEMICAL COMPANY 2007-02-22 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 (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-20090041714-A1 Binding element comprising polyethylene glycol and antihemophilic factor for use in treatment of hemophilia F13B, F8, F13A1 BMP1 382/4885SLC22A6 377/4885TDP1 2639/4885
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BUB1B, KIF5B, TK1 BMP1 2231/4885SLC22A6 1836/4885TDP1 543/4885
US-20230190966-A1 COMPOSITIONS USEFUL FOR TREATING GM1 GANGLIOSIDOSIS GALC, GBA1, GBA2 BMP1 2860/4885SLC22A6 649/4885TDP1 1020/4885
US-20230338564-A1 NEODEGRADER CONJUGATES CD44, FOLR1, CD47 BMP1 3018/4885SLC22A6 1764/4885TDP1 926/4885
US-20080058504-A1 Water soluble polyoxyethylene glylcol polyvinylpyrrolidone, polyvinyl alcohol, polyoxazoline, and/or polyacryloylmorpholine, conjugated to antihemophilic factor F8, F13A1, F13B BMP1 2081/4885SLC22A6 1520/4885TDP1 2265/4885
US-20070082022-A1 LATENT REACTIVE BLOOD COMPATIBLE AGENTS FGB, HLA-A, HLA-C BMP1 1218/4885SLC22A6 3163/4885TDP1 4427/4885

“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.