SCHEMBL21207355

SCHEMBL21207355

C=C(C)[C@@H](C=O)NC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.52
PTGS2 P35354 7/20 0.52
MGLL Q99685 6/20 0.44
FAAH O00519 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL29633571 0.83 PTGS1 (0.53) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18384401 0.81 PTGS1 (0.50) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18384208 0.81 PTGS1 (0.50) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17721377 0.79 PTGS1 (0.58) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL30433145 0.77 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18932194 0.77 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12965566 0.76 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL21697887 0.76 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL30368376 0.76 PTGS1 (0.58) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14660025 0.76 PTGS1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889616-B2 Cytotoxic tubulysin compounds for conjugation TUBE PHARMACEUTICALS GMBH (AT) 2021-01-12 US disclosed
US-20190233471-A1 CYTOTOXIC TUBULYSIN COMPOUNDS FOR CONJUGATION TUBE PHARMACEUTICALS GMBH (AT) 2019-08-01 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-20190233471-A1 CYTOTOXIC TUBULYSIN COMPOUNDS FOR CONJUGATION NGLY1, TEKT1, TWF2 PTGS1 4605/4885PTGS2 4793/4885MGLL 4787/4885
US-10889616-B2 Cytotoxic tubulysin compounds for conjugation NGLY1, TEKT1, TWF2 PTGS1 4605/4885PTGS2 4793/4885MGLL 4787/4885

“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.