SCHEMBL2289614

SCHEMBL2289614

CCOC(=O)N1CCCc2cc(S(=O)(=O)Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 8/20 0.55
LMNA P02545 7/20 0.55
NPSR1 Q6W5P4 3/20 0.55
HPGD P15428 1/20 0.55
MAPT P10636 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 3/20 0.51
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.49

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
SCHEMBL1908607 0.83 TP53 (0.70) SMN1; SMN2ALDH1A1LMNAHPGDMAPT
SCHEMBL2288107 0.81 TSHR (0.77) SMN1; SMN2ALDH1A1LMNANPSR1MAPT
SCHEMBL8761636 0.80 CA12 (0.62) SMN1; SMN2LMNAMAPTTSHRMEN1
SCHEMBL8590748 0.80 KDM4E (0.54) SMN1; SMN2ALDH1A1HPGDMAPTKDM4E
SCHEMBL8809305 0.80 KDM4E (0.58) SMN1; SMN2ALDH1A1LMNANPSR1HPGD
SCHEMBL2227782 0.78 CA1 (0.65) SMN1; SMN2ALDH1A1LMNANPSR1HPGD
SCHEMBL20583176 0.77 GPR119 (0.57) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL5696394 0.77 NOTUM (0.59) SMN1; SMN2ALDH1A1LMNANPSR1HPGD
SCHEMBL30767099 0.77 NOTUM (0.59) SMN1; SMN2ALDH1A1LMNANPSR1HPGD
SCHEMBL5423338 0.76 KDM4E (0.51) SMN1; SMN2ALDH1A1LMNANPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 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-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 SMN1; SMN2 4782/4885ALDH1A1 3287/4885LMNA 3414/4885

“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.