Sugi Predict

Sugi Predict / Compounds / SCHEMBL20086552

SCHEMBL20086552

SCHEMBL20086552

CC(C)/C=C/c1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.42
▸ CTSS P25774 3/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTSK P43235 2/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ NFKB1 P19838 2/20 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
SCHEMBL20091042 0.84 P2RX7 (0.39) P2RX7CTSSHSD11B1TDP1ALDH1A1
SCHEMBL20090999 0.82 P2RX7 (0.37) P2RX7CTSSHSD11B1CTSKNR1I2
SCHEMBL3435011 0.82 ALDH1A1 (0.44) TDP1ALDH1A1MEN1KMT2AMAT2A
SCHEMBL10322765 0.82 ALDH1A1 (0.44) TDP1ALDH1A1MEN1KMT2AMAT2A
SCHEMBL20086556 0.81 P2RX7 (0.37) P2RX7CTSSHSD11B1SLC22A12MAT2A
SCHEMBL18215452 0.81 P2RX7 (0.39) P2RX7CTSSHSD11B1TDP1ALDH1A1
SCHEMBL9967742 0.77 KCNH2 (0.51) TDP1ALDH1A1KMT2AMAT2AKCNH2
SCHEMBL20091021 0.77 HSD11B1 (0.38) P2RX7CTSSHSD11B1TDP1ALDH1A1
SCHEMBL909840 0.73 MEN1 (0.61) P2RX7CTSSHSD11B1TDP1ALDH1A1
SCHEMBL12985854 0.73 P2RX7 (0.49) P2RX7CTSSHSD11B1ALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 P2RX7 180/4885CTSS 4437/4885HSD11B1 58/4885
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 P2RX7 214/4885CTSS 4523/4885HSD11B1 43/4885

“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.