SCHEMBL21786892

SCHEMBL21786892

B[C@H]1CC(OCSSC(C)(C)CNC(=O)CCCCC2SCC3NC(=O)NC32)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCD1 P51178 1/20 0.45
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
CAPN1 P07384 2/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
FGF1 P05230 1/20 0.36
FGF2 P09038 1/20 0.36
VEGFA P15692 1/20 0.36
HPSE Q9Y251 1/20 0.36
MEN1 O00255 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL21786887 1.00 PLCD1 (0.45) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL19662605 1.00 PLCD1 (0.45) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL24913467 0.93 PLCD1 (0.45) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL21786863 0.90 PLCD1 (0.43) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL21786864 0.90 PLCD1 (0.43) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL24913506 0.90 PLCD1 (0.43) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL21787172 0.90 PLCD1 (0.43) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL24913491 0.89 PLCD1 (0.42) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL21786880 0.89 PLCD1 (0.42) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL24913496 0.87 PLCD1 (0.40) PLCD1F2PRSS1PRSS2PRSS3

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT PLCD1 1655/4885F2 4167/4885PRSS1 3962/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 PLCD1 1587/4885F2 4229/4885PRSS1 4044/4885

“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.