SCHEMBL3071847

SCHEMBL3071847

Cc1ccc(S(=O)(=O)OCCOC2CN(C(=O)O)CCC2c2ccc(OCCCOc3ccccc3Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL3069998 0.90 GPR119 (0.44) PPARGPPARDPPARALMNAMAPT
SCHEMBL3415525 0.90 GAA (0.37) PPARGPPARAMEN1KMT2AGAA
SCHEMBL3082328 0.87 REN (0.44)
SCHEMBL3073844 0.86 AR (0.42) LMNAMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3068343 0.84 PPARG (0.41) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL3069390 0.84 REN (0.42)
SCHEMBL3070134 0.83 LMNA (0.41) MEN1KMT2AGAALMNAMAPT
SCHEMBL3079394 0.83 REN (0.41)
SCHEMBL3078335 0.83 RAB9A (0.36) MEN1KMT2ACASP3CASP7LMNA
SCHEMBL3085070 0.81 GPR119 (0.46)

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-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 PPARG 258/4885PPARD 202/4885PPARA 1011/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PPARG 258/4885PPARD 202/4885PPARA 1011/4885

“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.