SCHEMBL22339730

SCHEMBL22339730

COC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CONC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.37
APLNR P35414 1/20 0.36
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA14 Q9ULX7 1/20 0.33
GBA1 P04062 1/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.31
BCHE P06276 1/20 0.31
CNR2 P34972 1/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL12143361 0.91 APLNR (0.42) ADORA1APLNRCA12CA2CA1
SCHEMBL23042768 0.89 TDP1 (0.42) ADORA1APLNRCA12CA2CA14
SCHEMBL15757814 0.88 ADORA1 (0.38) ADORA1APLNRCA12CA2GBA1
SCHEMBL23818338 0.88 TDP1 (0.43) ADORA1APLNRCA12CA2CA1
SCHEMBL14258502 0.88 PLK1 (0.35) ADORA1APLNRCA12CA2CA14
SCHEMBL13014750 0.86 APLNR (0.37) ADORA1APLNRCA12CA2GBA1
SCHEMBL2743023 0.86 APLNR (0.37) ADORA1APLNRCA12CA2GBA1
SCHEMBL14679532 0.85 APLNR (0.38) ADORA1APLNRCA12CA2CA1
SCHEMBL17655693 0.85 APLNR (0.38) ADORA1APLNRCA12CA2CA1
SCHEMBL15765901 0.84 APLNR (0.38) ADORA1APLNRCA12CA2CA1

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-11311400-B2 Methods for making conjugates from disulfide-containing proteins NOVARTIS AG (CH) 2022-04-26 US disclosed
US-20200253768-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS AG (CH) 2020-08-13 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-11311400-B2 Methods for making conjugates from disulfide-containing proteins PDIA6, PTMS, PDIA3 ADORA1 4740/4885APLNR 2367/4885CA12 536/4885
US-20200253768-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS PDIA6, PTMS, PDIA3 ADORA1 4740/4885APLNR 2367/4885CA12 536/4885

“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.