SCHEMBL16798316

SCHEMBL16798316

CC(C)(C)OC(=O)NCCc1cccc(CCC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.50
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.46
TBXA2R P21731 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GLS O94925 1/20 0.46
CTSK P43235 1/20 0.46
CYP3A4 P08684 1/20 0.44

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
SCHEMBL5729298 0.89 GLS (0.54) CA1GLSCYP3A4
SCHEMBL14987233 0.89 GLS (0.50) NQO2IDO1SIGMAR1CA2CA1
SCHEMBL4498509 0.89 CA2 (0.57) NQO2IDO1KMT2ASIGMAR1CA2
SCHEMBL29682117 0.88 NQO2 (0.49) NQO2IDO1SIGMAR1CA2CA1
SCHEMBL29112257 0.88 NQO2 (0.49) NQO2IDO1SIGMAR1CA2CA1
SCHEMBL9985225 0.86 NQO2 (0.52) NQO2IDO1SIGMAR1CA2CA1
SCHEMBL27832827 0.85 NQO2 (0.51) NQO2IDO1SIGMAR1CA2CA1
SCHEMBL30684558 0.84 PPARG (0.51) SIGMAR1SMN1; SMN2CYP3A4
SCHEMBL572740 0.84 IDO1 (0.60) IDO1ALDH1A1SIGMAR1CA2CA1
SCHEMBL732230 0.84 NQO2 (0.50) NQO2IDO1SIGMAR1CA2CA1

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
US-11376260-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2022-07-05 US disclosed
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2021-04-15 US disclosed
US-10842799-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2020-11-24 US disclosed
US-20200078371-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2020-03-12 US disclosed
US-20190192534-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2019-06-27 US disclosed
US-10278975-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2019-05-07 US disclosed
EP-3077401-B1 SERINE/THREONINE KINASE INHIBITORS GENENTECH INC (US) 2018-04-18 EP disclosed
US-9867833-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20180000833-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2018-01-04 US disclosed
EP-3077401-A1 SERINE/THREONINE KINASE INHIBITORS Genentech, Inc. (US) 2016-10-12 EP disclosed
US-20150182537-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-07-02 US disclosed
WO-2015085007-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-06-11 WO 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 (8 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-11376260-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 NQO2 1289/4885IDO1 3940/4885ALDH1A1 3097/4885
US-10842799-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 NQO2 1289/4885IDO1 3940/4885ALDH1A1 3097/4885
US-20150182537-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 NQO2 1289/4885IDO1 3940/4885ALDH1A1 3097/4885
US-20180000833-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 NQO2 1289/4885IDO1 3940/4885ALDH1A1 3097/4885
US-10278975-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 NQO2 1289/4885IDO1 3940/4885ALDH1A1 3097/4885
US-20190192534-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 NQO2 1289/4885IDO1 3940/4885ALDH1A1 3097/4885
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 NQO2 1289/4885IDO1 3940/4885ALDH1A1 3097/4885
US-20200078371-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 NQO2 1289/4885IDO1 3940/4885ALDH1A1 3097/4885

“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.