SCHEMBL21118783

SCHEMBL21118783

C=C(CO)C(=O)NCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
EPHX1 P07099 4/20 0.39
MCL1 Q07820 1/20 0.38
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PAOX Q6QHF9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G2A P14555 2/20 0.32
EPHX2 P34913 1/20 0.32
PLA2G4A P47712 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32

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
SCHEMBL21766932 0.85 EPHX1 (0.52) EPHX1PLA2G2APLA2G4AZDHHC20ZDHHC2
SCHEMBL2560023 0.84 MMP1 (0.41) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL28426666 0.82 MMP1 (0.40) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL21450442 0.81
SCHEMBL17409765 0.80 MMP1 (0.39) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL5282297 0.78 MMP1 (0.38) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL6858080 0.77 MMP1 (0.52) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL10350313 0.77 CA2 (0.37) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL7868646 0.77 NPC1 (0.40) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL149370 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389752-A1 CAMPTOTHECIN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Simcere Zaiming Pharmaceutical Co., Ltd. (CN) 2024-06-26 EP disclosed
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 EP disclosed
WO-2023131219-A1 CONJUGATES, COMPOSITIONS AND METHODS OF USE VIRTUOSO BINCO, INC. (US) 2023-07-13 WO disclosed
WO-2023020605-A1 CAMPTOTHECIN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 江苏先声药业有限公司 2023-02-23 WO disclosed
WO-2021225892-A1 ANTIBODY-DRUG CONJUGATES (ADCS) COMPRISING AN ANTI-TROP-2 ANTIBODY, COMPOSITIONS COMPRISING SUCH ADCS, AS WELL AS METHODS OF MAKING AND USING THE SAME LEVENA (SUZHOU) BIOPHARMA CO., LTD. (CN) 2021-11-11 WO disclosed
US-20190167805-A1 Immunoconjugates with an Intracellularly-Cleavable Linkage IMMUNOMEDICS, INC. 2019-06-06 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 (1 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-20190167805-A1 Immunoconjugates with an Intracellularly-Cleavable Linkage CD47, CD44, DNPEP MMP1 458/4885MMP2 560/4885MMP3 638/4885

“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.