SCHEMBL17049183

SCHEMBL17049183

O=C1OCCC1Oc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
S100A4 P26447 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL17049181 1.00 POLB (0.46) POLBTDP1ALDH1A1S100A4TRPV1
SCHEMBL18371960 1.00 POLB (0.46) POLBTDP1ALDH1A1S100A4TRPV1
SCHEMBL7476840 0.85 POLB (0.46) POLBTDP1ALDH1A1GAALMNA
SCHEMBL7468663 0.85 POLB (0.46) POLBTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL18371959 0.85 POLB (0.46) POLBTDP1ALDH1A1GAALMNA
SCHEMBL7472383 0.82 POLB (0.45) POLBTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7473306 0.82 POLB (0.45) POLBTDP1ALDH1A1GAASMN1; SMN2
SCHEMBL17049176 0.81 POLB (0.57) POLBTDP1ALDH1A1LMNAMAPT
SCHEMBL7467105 0.81 MASP2 (0.47) POLBTDP1ALDH1A1GAALMNA
SCHEMBL17049177 0.81 POLB (0.57) POLBTDP1ALDH1A1LMNAMAPT

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
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
US-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-09-24 US 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-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE LYCERA CORPORATION 2018-04-26 US disclosed
EP-3292119-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2018-03-14 EP 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
US-20170007686-A1 Adoptive Cellular Therapy Using an Agonist of Retinoic Acid Receptor-Related Orphan Receptor Gamma & Related Therapeutic Methods WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-01-12 US disclosed
EP-3110429-A1 ADOPTIVE CELLULAR THERAPY USING AN AGONIST OF RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR GAMMA & RELATED THERAPEUTIC METHODS Lycera Corporation (US) 2017-01-04 EP disclosed
CN-106132422-A Adoptive cell therapy using agonists of retinoic acid receptor-associated orphan receptor gamma & related therapeutic methods 莱斯拉公司 2016-11-16 CN disclosed
WO-2016179343-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-11-10 WO disclosed
WO-2015131035-A1 ADOPTIVE CELLULAR THERAPY USING AN AGONIST OF RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR GAMMA & RELATED THERAPEUTIC METHODS LYCERA CORPORATION (US) 2015-09-03 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-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE RORB, RORA, RORC POLB 3181/4885TDP1 4647/4885ALDH1A1 163/4885
US-20180265502-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC POLB 4352/4885TDP1 4596/4885ALDH1A1 602/4885
US-10364237-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB POLB 4519/4885TDP1 4421/4885ALDH1A1 762/4885
US-20170007686-A1 Adoptive Cellular Therapy Using an Agonist of Retinoic Acid Receptor-Related Orphan Receptor Gamma & Related Therapeutic Methods RORC, RORA, RORB POLB 3272/4885TDP1 4145/4885ALDH1A1 784/4885
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB POLB 4519/4885TDP1 4421/4885ALDH1A1 762/4885
US-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC POLB 3055/4885TDP1 4563/4885ALDH1A1 201/4885
US-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC POLB 4352/4885TDP1 4596/4885ALDH1A1 602/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC POLB 4352/4885TDP1 4596/4885ALDH1A1 602/4885

“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.