SCHEMBL22561256

SCHEMBL22561256

CCNC(=O)CC[S+](C)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
MCL1 Q07820 1/20 0.39
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.33
CASP2 P42575 1/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
EPHX2 P34913 1/20 0.31
NAAA Q02083 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL15250715 0.77
SCHEMBL3425605 0.77
SCHEMBL7749331 0.76
SCHEMBL5909462 0.75 FAAH (0.64) FAAHMCL1KMT2AL3MBTL1ALDH1A1
SCHEMBL26345108 0.75 CASP2 (0.52) FAAHHPGDALDH1A1CASP2NAAA
SCHEMBL20917368 0.72 FAAH (0.38) FAAHMCL1KMT2A
SCHEMBL26345118 0.72 FAAH (0.49) FAAHL3MBTL1CASP2EPHX2NAAA
SCHEMBL19915984 0.71 FAAH (0.37) FAAHMCL1L3MBTL1TSHR
SCHEMBL12346213 0.71 FAAH (0.73) FAAHMCL1KMT2AHPGDTSHR
SCHEMBL413654 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 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 (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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA FAAH 3537/4885MCL1 583/4885KMT2A 3498/4885

“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.