SCHEMBL27201781

SCHEMBL27201781

Cc1ccc(S(=O)(=O)N2C3COCC32)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
PKM P14618 4/20 0.49
MMP2 P08253 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 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
SCHEMBL27201918 0.89 ACHE (0.53) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL537069 0.81 ACHE (0.69) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL2690876 0.81 ACHE (0.74) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL2600494 0.80 ACHE (0.67) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL29705053 0.78 ACHE (0.44) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL13830631 0.77 ACHE (0.58) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL760022 0.77 ACHE (0.54) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL13812162 0.77 ACHE (0.68) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL14538647 0.74 ACHE (0.86) ACHEPKMMMP2ALDH1A1POLB
SCHEMBL12169285 0.74 ACHE (0.86) ACHEPKMMMP2ALDH1A1POLB

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 ACHE 4351/4885PKM 2130/4885MMP2 4796/4885

“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.