SCHEMBL5569768

SCHEMBL5569768

Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
POLB P06746 1/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MCL1 Q07820 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ESR1 P03372 1/20 0.47
MMP2 P08253 1/20 0.47
MAPT P10636 1/20 0.45

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
SCHEMBL15280427 1.00 LMNA (0.67) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL18041161 1.00 LMNA (0.67) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL15280428 1.00 LMNA (0.67) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL28751377 0.90 LMNA (0.52) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL16450976 0.90 LMNA (0.67) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL16450981 0.90 LMNA (0.67) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL15280430 0.90 LMNA (0.67) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL927698 0.88 ESR1 (0.57) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL13986553 0.88 MCL1 (0.62) LMNAPOLBAPOBEC3AAPOBEC3GTDP1
SCHEMBL20920601 0.87 LMNA (0.53) LMNAPOLBAPOBEC3AAPOBEC3GTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011454-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION Shuttle Pharmaceuticals, Inc. (US) 2022-06-15 EP disclosed
US-20220055988-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS INC (US) 2022-02-24 US disclosed
EP-3265073-B1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS INC (US) 2021-08-18 EP disclosed
US-20200317611-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS INC (US) 2020-10-08 US disclosed
US-10745352-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof SHUTTLE PHARMACEUTICALS, INC. (US) 2020-08-18 US disclosed
US-10730834-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof SHUTTLE PHARMACEUTICALS, INC. (US) 2020-08-04 US disclosed
US-20180057456-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS, INC. 2018-03-01 US disclosed
US-20180044292-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS, INC. 2018-02-15 US disclosed
US-9809539-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof SHUTTLE PHARMACEUTICALS, LLC (US) 2017-11-07 US disclosed
US-20160257649-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS, LLC 2016-09-08 US disclosed
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US disclosed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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-20180044292-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 LMNA 1551/4885POLB 156/4885APOBEC3A 1989/4885
US-20180057456-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 LMNA 1551/4885POLB 156/4885APOBEC3A 1989/4885
US-10745352-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof ATM, HDAC8, HDAC1 LMNA 1551/4885POLB 156/4885APOBEC3A 1989/4885
US-20200317611-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 LMNA 1551/4885POLB 156/4885APOBEC3A 1989/4885
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 LMNA 3701/4885POLB 3968/4885APOBEC3A 4607/4885
US-20160257649-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 LMNA 1551/4885POLB 156/4885APOBEC3A 1989/4885
US-10730834-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof ATM, HDAC8, HDAC1 LMNA 1551/4885POLB 156/4885APOBEC3A 1989/4885
US-20220055988-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 LMNA 1551/4885POLB 156/4885APOBEC3A 1989/4885

“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.