SCHEMBL2089415

SCHEMBL2089415

COCCOc1ccc(S(=O)(=O)Cl)cc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
TDP1 Q9NUW8 1/20 0.41
WDR5 P61964 3/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR4 O95977 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL9661536 0.86 HTT (0.48) HTTTDP1WDR5TSHRMAPK1
SCHEMBL27608494 0.82 HTT (0.44) HTTWDR5TSHRMEN1KMT2A
SCHEMBL1949836 0.82 HTT (0.57) HTTTDP1TSHRMEN1KMT2A
SCHEMBL20889400 0.82 HTT (0.42) HTTTDP1WDR5TSHRMAPK1
SCHEMBL27584930 0.81 HTT (0.43) HTTTDP1WDR5TSHRMAPK1
SCHEMBL14831887 0.81 MCL1 (0.47) HTTWDR5TSHRMEN1KMT2A
SCHEMBL739939 0.80 LMNA (0.55) HTTTSHRMAPK1MEN1KMT2A
SCHEMBL11434565 0.80 ALDH1A1 (0.49) HTTMAPK1KMT2AALDH1A1HPGD
SCHEMBL2907446 0.78 HTT (0.60) HTTTSHRMAPK1ALDH1A1LMNA
SCHEMBL7019067 0.77 APEX1 (0.47) HTTTSHRMEN1KMT2AALDH1A1

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
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 HTT 4768/4885TDP1 1549/4885WDR5 3909/4885

“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.