Sugi Predict

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SCHEMBL27201828

SCHEMBL27201828

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL27207040 1.00 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL27206958 0.88 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL27201861 0.88 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL27201986 0.79 ALDH1A1 (0.54) CYP3A4ALDH1A1TSHRHTTPSEN1
SCHEMBL27207136 0.79 ALDH1A1 (0.57) CYP3A4ALDH1A1TSHRHTTMAPT
SCHEMBL27201952 0.79 ALDH1A1 (0.57) CYP3A4ALDH1A1TSHRHTTMAPT
SCHEMBL27201984 0.79 ALDH1A1 (0.54) CYP3A4ALDH1A1TSHRHTTPSEN1
SCHEMBL21751553 0.78 FFAR4 (0.50) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL21751552 0.78 FFAR4 (0.50) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL21751554 0.78 FFAR4 (0.50) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19

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 CYP3A4 3414/4885ALDH1A1 3629/4885TSHR 2315/4885

“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.