SCHEMBL20094760

SCHEMBL20094760

CCC/C=C(\NN)C(=O)NC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
ALDH1A1 P00352 3/20 0.33
EPHX1 P07099 1/20 0.33
CTSD P07339 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CTSK P43235 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL2495438 0.69 GRIK1 (0.46) GRIK1GRIK2ALDH1A1TSHRCYP3A4
SCHEMBL20094799 0.69 TSHR (0.32) GRIK1GRIK2ALDH1A1TSHR
SCHEMBL340695 0.67 CTSD (0.38) GRIK1GRIK2ALDH1A1CTSDCA1
SCHEMBL4433675 0.67 ALDH1A1 (0.39) MEN1FAAHMAPK1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8900383 0.66 CTSD (0.37) GRIK1GRIK2ALDH1A1CTSD
SCHEMBL28271939 0.66 FAAH (0.43) MEN1FAAHMAPK1KMT2AGRIK1
SCHEMBL22616345 0.65 TSHR (0.48) MEN1FAAHMAPK1KMT2AALDH1A1
SCHEMBL20997265 0.65 GRIK1 (0.32) GRIK1GRIK2CTSD
SCHEMBL3073891 0.63 CA12 (0.48) MEN1FAAHMAPK1KMT2AALDH1A1
SCHEMBL25398035 0.62 TSHR (0.55) MEN1FAAHMAPK1KMT2AGRIK1

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-10544182-B2 Synthesis of desosamines Presidents and Fellow of Harvard College (US) 2020-01-28 US disclosed
US-20180111956-A1 SYNTHESIS OF DESOSAMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-26 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-10544182-B2 Synthesis of desosamines NANS, GALE, FUT6 MEN1 505/4885FAAH 3042/4885MAPK1 1416/4885
US-20180111956-A1 SYNTHESIS OF DESOSAMINES NANS, GALE, FUT6 MEN1 505/4885FAAH 3042/4885MAPK1 1416/4885

“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.