SCHEMBL4915330

SCHEMBL4915330

CC(C)(CCO)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
POLB P06746 1/20 0.31
PIK3CD O00329 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25319811 0.86 CYP4F2 (0.41) ALDH1A1NAALAD2MEN1KMT2ACNR2
SCHEMBL28206451 0.84 CYP4F2 (0.44) ALDH1A1NAALAD2CNR2CYP4F2CYP4A11
SCHEMBL4088521 0.80 ALDH1A1 (0.39) ALDH1A1NAALAD2MEN1KMT2APOLB
SCHEMBL17777033 0.80 ALDH1A1 (0.39) ALDH1A1NAALAD2MEN1KMT2ACNR2
SCHEMBL6729367 0.80 ALDH1A1 (0.59) ALDH1A1NAALAD2MEN1KMT2APOLB
SCHEMBL2490315 0.79
SCHEMBL30917993 0.78 HMGCR (0.33) ALDH1A1NAALAD2CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL17142804 0.78 KDM4E (0.38) ALDH1A1NAALAD2MEN1KMT2A
SCHEMBL3058682 0.78 ALDH1A1 (0.38) ALDH1A1NAALAD2MEN1KMT2A
SCHEMBL25352976 0.78 ALDH1A1 (0.38) ALDH1A1NAALAD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
US-20240199621-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2024-06-20 US disclosed
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
EP-4210703-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS Expansion Therapeutics, Inc. (US) 2023-07-19 EP disclosed
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
CN-101296903-A Novel indole-containing beta agonists, method for the production thereof and use thereof as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
CN-1432011-A Benzoamide piperidine compounds as substance P antagonists PFIZER PROD INC (US) 2003-07-23 CN 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 (12 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ALDH1A1 717/4885NAALAD2 4039/4885MEN1 2066/4885
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885NAALAD2 106/4885MEN1 4055/4885
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 ALDH1A1 3766/4885NAALAD2 3459/4885MEN1 3774/4885
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS FUS, SNRPE, RRBP1 ALDH1A1 4793/4885NAALAD2 2244/4885MEN1 3753/4885
US-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 ALDH1A1 2176/4885NAALAD2 2511/4885MEN1 1470/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885NAALAD2 106/4885MEN1 4055/4885
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 ALDH1A1 3671/4885NAALAD2 849/4885MEN1 3734/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT ALDH1A1 1412/4885NAALAD2 751/4885MEN1 3412/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 ALDH1A1 1426/4885NAALAD2 2679/4885MEN1 1728/4885
US-20240199621-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 ALDH1A1 1426/4885NAALAD2 2679/4885MEN1 1728/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885NAALAD2 106/4885MEN1 4055/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B ALDH1A1 573/4885NAALAD2 4448/4885MEN1 3974/4885

“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.