Sugi Predict

Sugi Predict / Compounds / SCHEMBL12264458

SCHEMBL12264458

SCHEMBL12264458

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

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ GABRP O00591 2/20 0.30
▸ GABRD O14764 2/20 0.30
▸ GABRA1 P14867 2/20 0.30
▸ GABRB1 P18505 2/20 0.30
▸ GABRG2 P18507 2/20 0.30
▸ GABRB3 P28472 2/20 0.30
▸ GABRA5 P31644 2/20 0.30
▸ GABRA3 P34903 2/20 0.30
▸ GABRA2 P47869 2/20 0.30
▸ GABRB2 P47870 2/20 0.30
▸ GABRA4 P48169 2/20 0.30
▸ GABRE P78334 2/20 0.30
▸ GABRA6 Q16445 2/20 0.30
▸ GABRG1 Q8N1C3 2/20 0.30
▸ GABRG3 Q99928 2/20 0.30
▸ GABRQ Q9UN88 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 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
SCHEMBL13433288 0.78 TAS1R3 (0.32) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL12264412 0.77 — —
SCHEMBL27438764 0.77 — —
SCHEMBL15948458 0.77 ALDH1A1 (0.46) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL12264477 0.75 — —
SCHEMBL11245383 0.74 IAPP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11245384 0.74 IAPP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12264411 0.73 OXER1 (0.35) POLB
SCHEMBL12313034 0.73 TDP1 (0.36) TAS1R3TAS1R1GABRPGABRDGABRA1
SCHEMBL12264461 0.73 — —

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 20 patents. 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
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US 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-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-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-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-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
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 — — US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — 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 (9 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 TAS1R3 4503/4885TAS1R1 4413/4885GABRP 3824/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TAS1R3 4737/4885TAS1R1 4734/4885GABRP 4365/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 TAS1R3 4797/4885TAS1R1 4746/4885GABRP 3229/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B TAS1R3 4383/4885TAS1R1 4581/4885GABRP 1700/4885
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B TAS1R3 4383/4885TAS1R1 4581/4885GABRP 1700/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TAS1R3 4503/4885TAS1R1 4413/4885GABRP 3824/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TAS1R3 4503/4885TAS1R1 4413/4885GABRP 3824/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TAS1R3 4737/4885TAS1R1 4734/4885GABRP 4365/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 TAS1R3 4503/4885TAS1R1 4413/4885GABRP 3824/4885

“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.