SCHEMBL15938352

SCHEMBL15938352

C=C(C)S(=O)(=O)Nc1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.40
HDAC3 O15379 8/20 0.40
HDAC2 Q92769 8/20 0.40
MAPK1 P28482 1/20 0.40
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
NCOR2 Q9Y618 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL10695718 0.79 HDAC3 (0.46) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL15938909 0.78 APP (0.39) PTGES2MEN1ALDH1A1KMT2ATDP1
SCHEMBL15938594 0.77 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2PTGES2
SCHEMBL29396266 0.75 KEAP1 (0.55) GAAMAPTKDM4EMEN1ALDH1A1
SCHEMBL449212 0.75 KEAP1 (0.55) GAAMAPTKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8118011 0.73 KEAP1 (0.53) GAAMAPTKDM4EMEN1ALDH1A1
SCHEMBL19439099 0.72 CA2 (0.52) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL11014832 0.72 HDAC1 (0.41) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL11722241 0.72 PSIP1 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11946846 0.71 HDAC1 (0.50) HDAC1HDAC3HDAC2MAPK1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
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
EP-2953457-A2 ERK INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-12-16 EP 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 HDAC1 789/4885HDAC3 770/4885HDAC2 976/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 HDAC1 931/4885HDAC3 1673/4885HDAC2 1219/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HDAC1 789/4885HDAC3 770/4885HDAC2 976/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HDAC1 789/4885HDAC3 770/4885HDAC2 976/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HDAC1 789/4885HDAC3 770/4885HDAC2 976/4885

“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.