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Sugi Predict / Compounds / SCHEMBL27201952

SCHEMBL27201952

SCHEMBL27201952

Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ TSHR P16473 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MCOLN2 Q8IZK6 2/20 0.45
▸ MCOLN3 Q8TDD5 2/20 0.45
▸ MCOLN1 Q9GZU1 2/20 0.45
▸ PSEN1 P49768 2/20 0.44
▸ PSEN2 P49810 2/20 0.44
▸ APH1B Q8WW43 2/20 0.44
▸ NCSTN Q92542 2/20 0.44
▸ APH1A Q96BI3 2/20 0.44
▸ PSENEN Q9NZ42 2/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL27207136 1.00 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL27201986 0.97 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL27201984 0.97 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL3970619 0.85 ALDH1A1 (0.72) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL27206958 0.81 CYP3A4 (0.46) ALDH1A1TSHRCYP3A4USP2HTT
SCHEMBL27201861 0.81 CYP3A4 (0.46) ALDH1A1TSHRCYP3A4USP2HTT
SCHEMBL1968485 0.80 ALDH1A1 (0.66) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL15618670 0.79 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL810836 0.79 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E
SCHEMBL15618828 0.79 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539855-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Borah, Inc. (US) 2025-04-23 — — EP disclosed
CN-119343143-A Boron-containing pyrimidine compounds, compositions containing them, methods and uses thereof 博拉公司 2025-01-21 — — CN disclosed
US-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-04-25 — — US disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 — — 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 (1 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-20240132525-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK2, JAK1, JAK3 ALDH1A1 3629/4885TSHR 2315/4885CYP3A4 3414/4885

“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.