SCHEMBL15948460

SCHEMBL15948460

CC(=O)CCC(=O)/C=C/c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
NFE2L2 Q16236 4/20 0.45
ALDH1A1 P00352 2/20 0.45
NFKB1 P19838 2/20 0.44
JUN P05412 1/20 0.44
RAB9A P51151 3/20 0.42
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
TFEB P19484 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL2473767 0.85 IAPP (0.64) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL11550275 0.85 NFE2L2 (0.54) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL2441185 0.85 IAPP (0.64) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL11550267 0.85 NFE2L2 (0.54) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL2437376 0.85 IAPP (0.64) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL2437375 0.85 IAPP (0.64) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL12313508 0.84 IAPP (0.49) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL12264478 0.83 NFE2L2 (0.45) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL15948629 0.82 MAOB (0.53) IAPPMAPTLMNANFE2L2ALDH1A1
SCHEMBL3362442 0.81 IAPP (0.60) IAPPMAPTLMNANFE2L2ALDH1A1

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 11 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-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
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US 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 (6 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 IAPP 3039/4885MAPT 1618/4885LMNA 4037/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 IAPP 4599/4885MAPT 2354/4885LMNA 4652/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 IAPP 3036/4885MAPT 1734/4885LMNA 3554/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 IAPP 3039/4885MAPT 1618/4885LMNA 4037/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 IAPP 3039/4885MAPT 1618/4885LMNA 4037/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 IAPP 3039/4885MAPT 1618/4885LMNA 4037/4885

“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.