SCHEMBL24540974

SCHEMBL24540974

CC(C)(C)C(=O)CCNC(=O)CCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.37
▸ PTGS2 P35354 6/20 0.37
▸ MGLL Q99685 4/20 0.35
▸ FAAH O00519 3/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ OPRM1 P35372 3/20 0.34
▸ OPRD1 P41143 3/20 0.34
▸ OPRK1 P41145 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL24637546 0.87 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHOPRM1
SCHEMBL19295812 0.87 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17721385 0.84 MGLL (0.43) PTGS1PTGS2MGLLAKT1SMN1; SMN2
SCHEMBL24540972 0.82 MEN1 (0.36) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL13214374 0.82 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17175665 0.82 SIGMAR1 (0.41) PTGS1PTGS2MGLLFAAHAKT1
SCHEMBL15146968 0.82 MTNR1A (0.40) PTGS1PTGS2MGLLFAAHOPRM1
SCHEMBL24978683 0.81 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18081561 0.81 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL20798887 0.81 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193251-A1 CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-23 — — 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-20220193251-A1 CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF TUBB6, GALNT10, TUBB PTGS1 4867/4885PTGS2 4865/4885MGLL 3910/4885

“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.

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