SCHEMBL17206201

SCHEMBL17206201

C=CCOC(=O)C(O)CS

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SNCA P37840 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
APP P05067 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC7A11 Q9UPY5 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
SCHEMBL9237824 0.80 CYP3A4 (0.39) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL170054 0.80 CYP3A4 (0.39) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL770455 0.80 TSHR (0.41) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL9635138 0.78 TSHR (0.44) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL7573463 0.78 CYP3A4 (0.38) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL9172596 0.78 CA1 (0.45) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL7398533 0.78 MAPT (0.40) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL7392048 0.78 MAPT (0.40) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL291912 0.78 CYP3A4 (0.38) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL29027440 0.78 TSHR (0.40) CYP3A4TDP1TSHRMAPTCACNA1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100008-B2 Immunostimulating agent AJINOMOTO CO., INC. (JP) 2018-10-16 US disclosed
EP-3134385-A1 IMMUNOSTIMULATING AGENT Ajinomoto Co., Inc. (JP) 2017-03-01 EP disclosed
US-20170036999-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2017-02-09 US disclosed
WO-2015163488-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2015-10-29 WO 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-20170036999-A1 IMMUNOSTIMULATING AGENT MYD88, IFNG, ICOS CYP3A4 4696/4885TDP1 3519/4885TSHR 4118/4885
US-10100008-B2 Immunostimulating agent MYD88, IFNG, ICOS CYP3A4 4696/4885TDP1 3519/4885TSHR 4118/4885

“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.