SCHEMBL5454671

SCHEMBL5454671

O=S(=O)(c1ccccc1)c1cc[c]cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
HSD11B1 P28845 4/20 0.45
KIF18A Q8NI77 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FEN1 P39748 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 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
SCHEMBL1691772 0.87 HTR6 (0.45) HTR6HSD11B1KIF18AKMT2APOLB
SCHEMBL22028032 0.80 POLB (0.50) HTR6KIF18AKMT2APOLBGAA
SCHEMBL4783767 0.80 HTR6 (0.61) HTR6KMT2APOLBGAAGFER
SCHEMBL28252471 0.80 HTR6 (0.45) HTR6HSD11B1KIF18AKMT2APOLB
SCHEMBL9370273 0.79 HSD11B1 (0.59) HTR6HSD11B1KIF18AKMT2AGAA
SCHEMBL516500 0.78 HSD11B1 (0.67) HTR6HSD11B1KIF18AKMT2APOLB
SCHEMBL28330197 0.78 HTR6 (0.46) HTR6HSD11B1KIF18AKMT2APOLB
SCHEMBL6963366 0.77 ALDH1A1 (0.48) HTR6HSD11B1KMT2APOLBGAA
SCHEMBL6971370 0.76 KMT2A (0.68) HTR6KIF18AKMT2APOLBGFER
SCHEMBL5451015 0.76 HTR6 (0.65) HTR6KMT2AGAAALDH1A1HSD17B10

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 3866/4885HSD11B1 779/4885KIF18A 4711/4885

“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.