SCHEMBL20798887

SCHEMBL20798887

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.38
▸ PTGS2 P35354 7/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ MGLL Q99685 4/20 0.36
▸ FAAH O00519 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL18081561 0.85 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17527969 0.84 AKT1 (0.48) AKT1ALDH1A1HPGDMAPTKDM4E
SCHEMBL17175665 0.83 SIGMAR1 (0.41) PTGS1PTGS2AKT1MGLLFAAH
SCHEMBL12056282 0.83 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12417516 0.83 MTNR1A (0.42) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15728340 0.83 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL10005219 0.82 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13531990 0.82 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL10005217 0.82 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16330013 0.81 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHALDH1A1

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-10226535-B2 Auristatin compounds and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2019-03-12 — — 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-10226535-B2 Auristatin compounds and conjugates thereof PBRM1, AURKB, ILK PTGS1 3594/4885PTGS2 3987/4885AKT1 3096/4885

“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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