SCHEMBL15948629

SCHEMBL15948629

CC(=O)CCC(=O)/C=C/c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
NFE2L2 Q16236 3/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
IAPP P10997 3/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP1A1 P04798 1/20 0.43

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
SCHEMBL12313018 0.84 IAPP (0.51) MAOBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL12264482 0.83 MAOB (0.49) MAOBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL18857388 0.83 RAB9A (0.51) MAOBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL10031593 0.83 IAPP (0.60) MAOBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL15948460 0.82 IAPP (0.46) RAB9AMAPTNPC1NFE2L2IAPP
SCHEMBL1781200 0.79 MAPT (0.63) MAOBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL1781201 0.79 MAPT (0.63) MAOBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL31464870 0.79 MAPT (0.63) MAOBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL29374751 0.79 MAPT (0.63) MAOBRAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL3581314 0.79 NFE2L2 (0.62) MAOBRAB9AMAPTSMN1; SMN2NPC1

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 12 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
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 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 (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 MAOB 3647/4885RAB9A 1517/4885L3MBTL1 1676/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 MAOB 2649/4885RAB9A 3788/4885L3MBTL1 4189/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 MAOB 3541/4885RAB9A 1454/4885L3MBTL1 1413/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAOB 3647/4885RAB9A 1517/4885L3MBTL1 1676/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAOB 3647/4885RAB9A 1517/4885L3MBTL1 1676/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAOB 3647/4885RAB9A 1517/4885L3MBTL1 1676/4885

“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.