SCHEMBL20113892

SCHEMBL20113892

CCOC(=O)C/C(=C\C(C)(C)C)P1(=O)SCCS1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PKM P14618 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL20113890 0.84 GAA (0.45) GAAMGAMSIMGAM2PKM
SCHEMBL20113889 0.84 GAA (0.45) GAAMGAMSIMGAM2PKM
SCHEMBL20113891 0.82 GAA (0.42) GAAMGAMSIMGAM2PKM
SCHEMBL20113908 0.82 GAA (0.42) GAAMGAMSIMGAM2PKM
SCHEMBL20113895 0.79 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20113525 0.77 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7564545 0.70 GAA (0.56) GAAMGAMSIMGAM2PKM
SCHEMBL20113541 0.64 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL30286097 0.63 GAA (0.79) GAAMGAMSIMGAM2PKM
Malonic Acid Diethyl Ester SCHEMBL1864301 0.62 GAA (1.00) GAAMGAMSIMGAM2PKM

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-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 GAA 4181/4885MGAM 4128/4885SI 2996/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 GAA 4181/4885MGAM 4128/4885SI 2996/4885

“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.