SCHEMBL960926

SCHEMBL960926

O=S(=O)(CCCN1CCOCC1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.43
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
IKBKB O14920 1/20 0.38
EPHX2 P34913 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CXCR4 P61073 1/20 0.36
HPGD P15428 1/20 0.36
DUSP3 P51452 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
Hydrochloric Acid SCHEMBL477624 0.98 HTR4 (0.42) HTR4KEAP1SMN1; SMN2HRH3LMNA
SCHEMBL4195076 0.81 KMT2A (0.42) HTR4KEAP1SMN1; SMN2HRH3LMNA
SCHEMBL5249800 0.77 EPHX2 (0.43) HTR4KEAP1SMN1; SMN2LMNAKMT2A
SCHEMBL6674597 0.77 SMN1; SMN2 (0.56) KEAP1SMN1; SMN2HRH3LMNAALDH1A1
SCHEMBL151418 0.77 CXCR4 (0.57) KEAP1SMN1; SMN2HRH3LMNAALDH1A1
SCHEMBL5306266 0.76 HTR4 (0.47) HTR4
SCHEMBL14375265 0.75 HTR4 (0.45) HTR4HRH3LMNAIKBKBALDH1A1
SCHEMBL4342856 0.75 KEAP1 (0.54) KEAP1SMN1; SMN2HRH3LMNAKMT2A
SCHEMBL416345 0.74 SMN1; SMN2 (0.50) KEAP1SMN1; SMN2HRH3KMT2AMEN1
SCHEMBL17832935 0.74 THRB (0.46) HRH3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
EP-1812446-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-11-18 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-7872003-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2011-01-18 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
EP-1812446-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO disclosed
WO-2006046040-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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 (6 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 HTR4 2209/4885KEAP1 4407/4885SMN1; SMN2 1242/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 HTR4 2209/4885KEAP1 4407/4885SMN1; SMN2 1242/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 HTR4 2194/4885KEAP1 4399/4885SMN1; SMN2 1238/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 HTR4 2209/4885KEAP1 4407/4885SMN1; SMN2 1242/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 HTR4 2209/4885KEAP1 4407/4885SMN1; SMN2 1242/4885
US-20080207609-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 HTR4 2145/4885KEAP1 4349/4885SMN1; SMN2 1214/4885

“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.