SCHEMBL2057084

SCHEMBL2057084

Cc1c(C(=O)O)ccc(O)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
CSNK2A1 P68400 1/20 0.43
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
MCL1 Q07820 1/20 0.41
PKM P14618 2/20 0.41
CDK2 P24941 1/20 0.40
HNF4A P41235 1/20 0.39
MYC P01106 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL2057086 1.00 TSHR (0.53) TSHRCSNK2A1SELLSELPALDH1A1
SCHEMBL3478112 0.89 TSHR (0.59) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL8671212 0.89 TSHR (0.59) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL8578465 0.87 TSHR (0.50) TSHRCSNK2A1SELLSELPALDH1A1
SCHEMBL2187863 0.85 SELL (0.48) TSHRSELLSELPALDH1A1TDP1
SCHEMBL2381586 0.84 TSHR (0.54) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL8402833 0.82 GAA (0.45) ALDH1A1SMN1; SMN2GPR35CYP3A4ALOX15
SCHEMBL28965304 0.82 TSHR (0.62) TSHRALDH1A1TDP1SMN1; SMN2GPR35
SCHEMBL28404963 0.81 GAA (0.46) TSHRALDH1A1TDP1SMN1; SMN2GPR35
SCHEMBL17164149 0.81 TSHR (0.51) TSHRALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191828-B Method for synthesizing lenalidomide metabolite 梯尔希(南京)药物研发有限公司 2020-06-09 CN claimed
EP-2877462-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS Celgene Corporation (US) 2015-06-03 EP claimed
WO-2014018866-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 WO claimed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 US claimed
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-10-15 US disclosed
EP-2877462-B1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORP (US) 2019-09-04 EP disclosed
US-10364237-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-07-30 US disclosed
US-20180265502-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-09-20 US disclosed
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-07-26 US disclosed
US-9896441-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2018-02-20 US disclosed
US-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-06-29 US disclosed
EP-3140291-A2 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2017-03-15 EP disclosed
EP-0665897-B1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS UNIV COLUMBIA (US) 2003-07-09 EP disclosed
US-20030119059-A1 Complex combinatorial chemical libraries encoded with tags THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2003-06-26 US disclosed
US-6503759-B1 Encoded combinatorial chemistry is provided, where sequential synthetic schemes are recorded using organic molecules, which define choice of reactant, and stage, as the same or different bit of information. Various products can be produced in the THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2003-01-07 US disclosed
US-6001579-A SOLID SUPPORT OF A COMPOUND SYNTHESIZED BY A SERIES OF REACTIONS AND A NUMBER OF IDENTIFIERS, EACH WITH A TAG, ATTACHED TO SUPPORT BUT NOT THROUGH COMPOUND; THE COMBINATION OF TAGS RECORDS THE REACTION HISTORY; FOR SCREENING COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY (US) 1999-12-14 US disclosed
US-5968736-A ENCODED COMBINATORIAL CHEMISTRY BY REACTING SUPPORT WITH FIRST REAGENT UNDER FIRST CONDITIONS, ATTACHING AT LEAST TWO DIFFERENT NON-SEQUENCABLE TAGS, REPEATING REACTING AND ATTACHING STEPS COLD SPRING HARBOR LABORATORY (US) 1999-10-19 US disclosed
EP-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 EP disclosed
US-4835306-A Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1989-05-30 US disclosed
EP-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 EP 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 (6 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-20180265502-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC TSHR 412/4885CSNK2A1 516/4885SELL 2261/4885
US-10364237-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB TSHR 437/4885CSNK2A1 493/4885SELL 1414/4885
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS UGT1A1, CYP3A5, CYP3A7 TSHR 4230/4885CSNK2A1 673/4885SELL 4105/4885
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB TSHR 437/4885CSNK2A1 493/4885SELL 1414/4885
US-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC TSHR 412/4885CSNK2A1 516/4885SELL 2261/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC TSHR 412/4885CSNK2A1 516/4885SELL 2261/4885

“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.