SCHEMBL22267883

SCHEMBL22267883

CC(NC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.45
PTGS2 P35354 7/20 0.45
MGLL Q99685 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
FAAH O00519 3/20 0.40
HTT P42858 3/20 0.40
HSP90AA1 P07900 1/20 0.40
TLR9 Q9NR96 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL19257599 0.87 PTGS1 (0.48) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL19708967 0.83 PTGS1 (0.49) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL22267884 0.82 PTGS1 (0.43) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL18596603 0.82 PTGS1 (0.43) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL18596600 0.82 PTGS1 (0.43) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL18515923 0.81 PTGS1 (0.42) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL25965248 0.81 PTGS1 (0.42) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL22267880 0.80 PTGS1 (0.38) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL25748815 0.79 PTGS1 (0.50) PTGS1PTGS2MGLLSMN1; SMN2HPGD
SCHEMBL25748817 0.79 PTGS1 (0.50) PTGS1PTGS2MGLLSMN1; SMN2HPGD

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-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 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-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 PTGS1 4670/4885PTGS2 4790/4885MGLL 4563/4885

“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.