SCHEMBL6513030

SCHEMBL6513030

COc1cccc(CC(=O)C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.57
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
MMP13 P45452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
USP2 O75604 1/20 0.49
CMA1 P23946 1/20 0.49
IDO1 P14902 1/20 0.49
AGXT P21549 1/20 0.49

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
SCHEMBL13543222 0.84 CYP24A1 (0.57) MTNR1AMTNR1B
SCHEMBL18751676 0.84 CYP1A2 (0.46) CTBP2CYP1A2POLB
SCHEMBL4071390 0.82 CTBP2 (0.64) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL13543196 0.82 CYP24A1 (0.50) ALDH1A1POLBMEN1KMT2ASIGMAR1
SCHEMBL23692350 0.81 SRC (0.45) CTBP2ALDH1A1HTTMMP13
SCHEMBL13012127 0.81 PPARA (0.57) SMN1; SMN2
SCHEMBL29824310 0.81 PTGS1 (0.67) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL229067 0.81 PTGS1 (0.67) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL269177 0.81 CTBP2 (0.62) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2
SCHEMBL15513856 0.81 CTBP2 (0.62) CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158022-A1 METHODS OF USING MYT1 INHIBITORS REPARE THERAPEUTICS INC. (CA) 2023-05-25 US disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 US disclosed
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R & D IRELAND (IE) 2015-08-06 US disclosed
US-9040562-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-05-26 US disclosed
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R&D IRELAND (IE) 2014-09-11 US disclosed
US-8754106-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-06-17 US disclosed
US-8741926-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-06-03 US disclosed
US-7879885-B2 such as N-(2-Amino-6-methylpyridin-3-ylmethyl)-N-{2-[2-[(2-amino-6-methyl-pyridin-3-ylmethyl)formylamino]-1-(2-hydroxyethyl)-propenyldisulfanyl]-4-hydroxy-1-methylbut-1-enyl}formamide, used for inhibiting cell proliferation and tumor cell growth, stimulating apoptosis in tumor cells and treating cancer ARRAY BIOPHARMA, INC. (US) 2011-02-01 US disclosed
US-20100317621-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
US-20090203663-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 US disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 US disclosed
US-6867310-B1 Arylation and vinylation of activated carbons MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-03-15 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 (11 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CTBP2 3929/4885CYP1A2 41/4885ALDH1A1 2683/4885
US-20090209554-A1 Thiazoliums as transketolase inhibitors TKT, RRM2, TYMS CTBP2 3818/4885CYP1A2 2572/4885ALDH1A1 766/4885
US-20100317621-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB CTBP2 3407/4885CYP1A2 740/4885ALDH1A1 430/4885
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 CTBP2 4378/4885CYP1A2 62/4885ALDH1A1 93/4885
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTBP2 3929/4885CYP1A2 41/4885ALDH1A1 2683/4885
US-20090203663-A1 CHEMICAL COMPOUNDS ITGB5, ITGB1, ITGA2B CTBP2 1349/4885CYP1A2 4462/4885ALDH1A1 565/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 CTBP2 3475/4885CYP1A2 4447/4885ALDH1A1 372/4885
US-20230158022-A1 METHODS OF USING MYT1 INHIBITORS MYT1, MNAT1, MYLK3 CTBP2 2007/4885CYP1A2 3815/4885ALDH1A1 4237/4885
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors TKT, AKR1A1, RRM2 CTBP2 4232/4885CYP1A2 1396/4885ALDH1A1 132/4885
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS CTBP2 3929/4885CYP1A2 41/4885ALDH1A1 2683/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B CTBP2 2899/4885CYP1A2 4569/4885ALDH1A1 1156/4885

“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.