SCHEMBL27202005

SCHEMBL27202005

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAS2R14 Q9NYV8 4/20 0.41
GLA P06280 1/20 0.40
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM1A O60341 4/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
ACHE P22303 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL27207157 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2TAS2R14
SCHEMBL30689711 0.84 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2TAS2R14
SCHEMBL27201966 0.83 TAS2R14 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2TAS2R14
SCHEMBL27201854 0.81 GLA (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2TAS2R14
SCHEMBL27207282 0.81 GLA (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2TAS2R14
SCHEMBL14062319 0.70 ACHE (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2GLA
SCHEMBL30865701 0.69 JAK2 (0.35) MEN1KMT2ATAS2R14GLAKDM1A
SCHEMBL31404011 0.68 GLA (0.51) ALDH1A1MEN1KMT2ATAS2R14GLA
SCHEMBL30689733 0.67 NR1D1 (0.35) MEN1KMT2ATAS2R14GLAKDM1A
SCHEMBL27201984 0.67 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBTSHRMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3629/4885MEN1 2028/4885KMT2A 1391/4885

“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.