SCHEMBL10044969

SCHEMBL10044969

CC(C)C(=O)c1cncs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
KMT2A Q03164 3/20 0.41
ACACB O00763 3/20 0.37
CSF1R P07333 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
KIF11 P52732 1/20 0.33
FFAR1 O14842 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
NAMPT P43490 1/20 0.31
ABL1 P00519 1/20 0.31
GRM5 P41594 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GRM4 Q14833 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
SCHEMBL5608437 0.79 KMT2A (0.41) PIK3CDKMT2AACACBHDAC8KIF11
SCHEMBL28210909 0.79 PIK3CD (0.38) PIK3CDKMT2AACACBHDAC8KIF11
SCHEMBL299024 0.76
SCHEMBL5752803 0.75 KMT2A (0.47) PIK3CDKMT2AACACBHDAC8KIF11
SCHEMBL28296615 0.75 KMT2A (0.41) PIK3CDKMT2AACACBCSF1R
SCHEMBL14953422 0.75 KMT2A (0.38) PIK3CDKMT2AACACBHDAC8IDO1
SCHEMBL2614311 0.75 ACACB (0.52) PIK3CDKMT2AACACBKIF11ABL1
Methyl Alcohol SCHEMBL28357518 0.74 KMT2A (0.43) PIK3CDKMT2AACACBHDAC8GRM4
SCHEMBL2170819 0.73
SCHEMBL24568233 0.72 ACACB (0.47) PIK3CDKMT2AACACBCSF1RKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112266828-A Method for extracting essence from reed leaves 张家界康华实业有限公司 2021-01-26 CN claimed
US-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 US disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-20220056073-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS UNIV CORNELL (US) 2022-02-24 US disclosed
CN-112266828-A Method for extracting essence from reed leaves 张家界康华实业有限公司 2021-01-26 CN disclosed
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
CN-105061418-A Precursor-aroma compound having sweet aroma and nut aroma as well as preparation method and application of precursor-aroma compound CHINA TOBACCO CHUANYU IND CO 2015-11-18 CN disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-7589118-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-09-15 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-7547724-B2 IAP BIR domain binding compounds AEGERA THERPEUTICS, INC. 2009-06-16 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 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-20220056073-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS PSMB1, PSMB3, PSMB11 PIK3CD 2556/4885KMT2A 1292/4885ACACB 4421/4885
US-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PIK3CD 1889/4885KMT2A 4686/4885ACACB 3892/4885
US-20080014207-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PIK3CD 1889/4885KMT2A 4686/4885ACACB 3892/4885
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 PIK3CD 208/4885KMT2A 2377/4885ACACB 941/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX PIK3CD 2272/4885KMT2A 4730/4885ACACB 4613/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 PIK3CD 377/4885KMT2A 1017/4885ACACB 692/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 PIK3CD 2990/4885KMT2A 4150/4885ACACB 698/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 PIK3CD 2001/4885KMT2A 4661/4885ACACB 4068/4885
US-11732005-B2 Peptidomimetic proteasome inhibitors PSMB1, PSMB3, PSMB11 PIK3CD 2556/4885KMT2A 1292/4885ACACB 4421/4885
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES CYP3A4, CYP4A22, HCCS PIK3CD 2769/4885KMT2A 2941/4885ACACB 804/4885
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS PREP, HCCS, PEPD PIK3CD 3877/4885KMT2A 3232/4885ACACB 863/4885

“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.