SCHEMBL15948669

SCHEMBL15948669

CCSC(C)(C)CC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL15948602 0.78 TDP1 (0.41) TDP1
SCHEMBL23531317 0.76 CES2 (0.38) TDP1
SCHEMBL23531313 0.76 CES2 (0.38) TDP1
SCHEMBL23531321 0.76 CES2 (0.38) TDP1
SCHEMBL23531357 0.76 CES2 (0.38) TDP1
SCHEMBL23531293 0.76 CES2 (0.38) TDP1
SCHEMBL23531280 0.76 CES2 (0.38) TDP1
SCHEMBL23531320 0.76 CES2 (0.38) TDP1
SCHEMBL15948442 0.75 CES2 (0.35) ALDH1A1
SCHEMBL21313325 0.74 CES2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 WO disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 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 (5 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885TDP1 2390/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 ALDH1A1 2289/4885TDP1 2480/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885TDP1 2390/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885TDP1 2390/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885TDP1 2390/4885

“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.