Sugi Predict

Sugi Predict / Compounds / SCHEMBL2169032

SCHEMBL2169032

SCHEMBL2169032

CC(C)Oc1cnc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ GABRA1 P14867 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 1/20 0.37
▸ GABRQ Q9UN88 1/20 0.37
▸ ACACB O00763 10/20 0.35
▸ APLNR P35414 2/20 0.33
▸ ACACA Q13085 5/20 0.33

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
SCHEMBL31547837 0.78 KDM4E (0.33) —
SCHEMBL31719558 0.78 KDM4E (0.33) —
SCHEMBL421562 0.77 — —
SCHEMBL30197283 0.77 — —
SCHEMBL1918671 0.76 ALDH1A1 (0.40) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9072337 0.76 GABRP (0.41) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL29127598 0.75 — —
SCHEMBL22518721 0.74 ALDH1A1 (0.39) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21097069 0.74 ALDH1A1 (0.39) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL22518712 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385361-A1 METHOD FOR PRODUCING 2-SUBSTITUTED-3-ETHYLSULFONYLPYRIDINE COMPOUND AND LIKE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-12-10 — — US disclosed
EP-3722289-A1 METHOD FOR PRODUCING 2-SUBSTITUTED-3-ETHYLSULFONYL PYRIDINE COMPOUND AND LIKE Sumitomo Chemical Company Limited (JP) 2020-10-14 — — EP disclosed
CN-111356685-A Process for producing 2-substituted-3-ethylsulfonylpyridine compound 住友化学株式会社 2020-06-30 — — CN disclosed
US-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 — — US disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 — — 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-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF CS, CYP11B1, GPR119 ALDH1A1 1461/4885GABRA1 3102/4885GABRG2 2799/4885
US-20200385361-A1 METHOD FOR PRODUCING 2-SUBSTITUTED-3-ETHYLSULFONYLPYRIDINE COMPOUND AND LIKE NIT2, PEF1, SRM ALDH1A1 1928/4885GABRA1 3868/4885GABRG2 3118/4885

“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.