SCHEMBL20987889

SCHEMBL20987889

C=CC(=O)NCC(=O)C(C)(C)CC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TGM2 P21980 2/20 0.33
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PSMB5 P28074 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
SCHEMBL18469910 0.93 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL13196346 0.82 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL20987654 0.81 ZDHHC20 (0.49) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL19176574 0.79 ZDHHC20 (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL13196125 0.76 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL1104220 0.76 ZDHHC20 (0.50) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL12128670 0.75 KDM4E (0.36) ALDH1A1TSHRMAPK1RIPK1
Alcohol SCHEMBL11584276 0.74 TSHR (0.56) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Propane SCHEMBL8855237 0.74 TSHR (0.56) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL20987657 0.73 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 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 (1 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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 ALDH1A1 4078/4885TSHR 4677/4885MAPK1 345/4885

“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.