SCHEMBL5451015

SCHEMBL5451015

COc1c[c]ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.65
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 6/20 0.40
PKM P14618 3/20 0.40
FEN1 P39748 1/20 0.40
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 2/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38

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
SCHEMBL28699989 0.87 HTR6 (0.65) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6913555 0.79 HTR6 (1.00) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL28252471 0.78 HTR6 (0.45) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3716259 0.78 SMN1; SMN2 (0.46) HTR6KDM4EPKMKMT2AGAA
SCHEMBL2208523 0.77 MEN1 (0.50) KDM4EKMT2AHPGDHSD17B10
SCHEMBL5454671 0.76 HTR6 (0.46) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10405334 0.76 ALDH1A1 (0.37) HTR6TP53KDM4EPKMKMT2A
SCHEMBL6069951 0.76 CA2 (0.46) PKMALDH1A1
SCHEMBL28330197 0.76 HTR6 (0.46) HTR6KDM4EPKMKMT2AGAA
SCHEMBL27177203 0.76 ELANE (0.39) HTR6KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine VERNALIS (CAMBRIDGE) LIMITED. (GB) 2007-08-02 US claimed
EP-1608652-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN MEDICINE Vernalis (Cambridge) Limited (GB) 2005-12-28 EP claimed
WO-2004087707-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN MEDICINE VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-10-14 WO claimed

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-20070179161-A1 Pyrazolopyrimidine compounds and their use in medicine ROS1, ALK, NOX1 HTR6 3866/4885ABCC9 1258/4885ABCC8 1053/4885

“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.