SCHEMBL21543626

SCHEMBL21543626

O=[C]CCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
MGLL Q99685 3/20 0.38
FAAH O00519 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL1256805 0.88 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL18343675 0.88 PTGS1 (0.54) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL3663756 0.86 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL18081561 0.84 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL21727838 0.84 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL14984835 0.83 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL18995821 0.81 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL10005217 0.81 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL13531990 0.81 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHMAPT
SCHEMBL10005219 0.81 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193069-A1 CAMPTOTHECIN PEPTIDE CONJUGATES SEAGEN INC (US) 2022-06-23 US disclosed
CN-111936169-A Camptothecin peptide conjugates 西雅图遗传学公司 2020-11-13 CN disclosed
US-20190343828-A1 CAMPTOTHECIN PEPTIDE CONJUGATES SEATTLE GENETICS, INC. (US) 2019-11-14 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 (2 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-20220193069-A1 CAMPTOTHECIN PEPTIDE CONJUGATES VIP, DCLRE1A, UACA PTGS1 2685/4885PTGS2 3591/4885MGLL 4526/4885
US-20190343828-A1 CAMPTOTHECIN PEPTIDE CONJUGATES VIP, DCLRE1A, UACA PTGS1 2685/4885PTGS2 3591/4885MGLL 4526/4885

“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.