SCHEMBL4939145

SCHEMBL4939145

CC(C)[C@](N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9116850 1.00 DGAT1 (0.40) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL28195825 1.00 DGAT1 (0.40) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL2330290 0.88 DGAT1 (0.38) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL25436173 0.88 DGAT1 (0.38) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL30185755 0.88 DGAT1 (0.38) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL28815007 0.86 DGAT1 (0.36) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL28199018 0.86 DGAT1 (0.36) DGAT1CYP1A2CYP2D6
SCHEMBL4907419 0.86 DGAT1 (0.36) DGAT1CYP1A2CYP2D6
SCHEMBL1536326 0.84 DGAT1 (0.39) DGAT1CYP1A2CYP2D6
SCHEMBL27797420 0.84 DGAT1 (0.35) DGAT1CYP1A2CYP2D6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024040080-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2024-02-22 WO disclosed
US-10406147-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2019-09-10 US disclosed
US-20190247383-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2019-08-15 US disclosed
US-10166222-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2019-01-01 US disclosed
US-20180050025-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2018-02-22 US disclosed
US-9669015-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2017-06-06 US disclosed
US-20150272940-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2015-10-01 US disclosed
US-9085563-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2015-07-21 US disclosed
US-20140179737-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2014-06-26 US disclosed
US-8637545-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2014-01-28 US disclosed
EP-1867649-B1 PIPERIDYL-2, 6-DIONE DERIVATIVES USED TO INHIBIT CELLS FROM RELEASING TUMOR NECROSIS FACTOR TIAN JIN HEMAY BIO TECH CO LTD (CN) 2012-12-12 EP disclosed
US-20080051432-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2008-02-28 US disclosed
EP-1867649-A1 PIPERIDYL-2, 6-DIONE DERIVATIVES USED TO INHIBIT CELLS FROM RELEASING TUMOR NECROSIS FACTOR Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2007-12-19 EP disclosed
US-20050203170-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof AVENTIS PHARMA S.A. 2005-09-15 US disclosed
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-07-29 US disclosed
US-20030153611-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof AVENTIS PHARMA S.A. 2003-08-14 US disclosed
WO-1995030651-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES CIBA-GEIGY AG (CH) 1995-11-16 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 (10 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-20180050025-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNFRSF9, TNFRSF1A, NGFR DGAT1 3996/4885CYP1A2 1967/4885CYP2D6 2030/4885
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF MCL1, ENPP1, MYC DGAT1 784/4885CYP1A2 367/4885CYP2D6 252/4885
US-10406147-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TNF, TNFRSF1A, TNFRSF9 DGAT1 3770/4885CYP1A2 2481/4885CYP2D6 2304/4885
US-10166222-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TNFRSF1A, TNFRSF9, NGFR DGAT1 4004/4885CYP1A2 1930/4885CYP2D6 2063/4885
US-20150272940-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DGAT1 3770/4885CYP1A2 2481/4885CYP2D6 2304/4885
US-20190247383-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DGAT1 3835/4885CYP1A2 2536/4885CYP2D6 2451/4885
US-20050203170-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof MCL1, ENPP1, MYC DGAT1 784/4885CYP1A2 367/4885CYP2D6 252/4885
US-20080051432-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DGAT1 3770/4885CYP1A2 2481/4885CYP2D6 2304/4885
US-20030153611-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof MCL1, ENPP1, MYC DGAT1 784/4885CYP1A2 367/4885CYP2D6 252/4885
US-20140179737-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DGAT1 3770/4885CYP1A2 2481/4885CYP2D6 2304/4885

“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.