SCHEMBL16798328

SCHEMBL16798328

CN(CC(Cc1ccc(Cl)cc1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PPARG P37231 8/20 0.43
EPHX2 P34913 1/20 0.43
PPARA Q07869 7/20 0.42
MAOB P27338 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL23699429 0.88 CYP1A2 (0.51) CYP1A2
SCHEMBL16798442 0.87 CTSS (0.44) PPARGPPARACYP1A2MME
SCHEMBL16798383 0.86 LDHA (0.51) KMT2APPARGPPARA
SCHEMBL23699431 0.84 MAOB (0.42) PPARAMAOBMME
SCHEMBL16798266 0.83 PPARA (0.40) PPARGPPARA
SCHEMBL12980047 0.80 PPARA (0.39) KMT2APPARGPPARACYP1A2CYP2C9
SCHEMBL5803685 0.79 ADORA1 (0.48) PPARGPPARAMAOBCYP3A4CYP1A2
SCHEMBL5322873 0.79 ADORA1 (0.48) PPARGPPARAMAOBCYP3A4CYP1A2
SCHEMBL6557867 0.79 ADORA1 (0.48) PPARGPPARAMAOBCYP3A4CYP1A2
SCHEMBL31622222 0.79 POLB (0.44) KMT2APPARGPPARACYP3A4CYP1A2

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
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
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 KMT2A 2568/4885PPARG 4471/4885EPHX2 3208/4885
US-10842799-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 KMT2A 2568/4885PPARG 4471/4885EPHX2 3208/4885
US-20150182537-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 KMT2A 2568/4885PPARG 4471/4885EPHX2 3208/4885
US-20180000833-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 KMT2A 2568/4885PPARG 4471/4885EPHX2 3208/4885
US-10278975-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 KMT2A 2568/4885PPARG 4471/4885EPHX2 3208/4885
US-20190192534-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 KMT2A 2568/4885PPARG 4471/4885EPHX2 3208/4885
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 KMT2A 2568/4885PPARG 4471/4885EPHX2 3208/4885
US-20200078371-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 KMT2A 2568/4885PPARG 4471/4885EPHX2 3208/4885

“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.