SCHEMBL8259755

SCHEMBL8259755

C=C1CC2CCC(C1)N2C(=O)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
BCHE P06276 1/20 0.37
ATM Q13315 1/20 0.36
GBA2 Q9HCG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM1 P11229 4/20 0.35
CHRM2 P08172 2/20 0.35
GRM5 P41594 1/20 0.34
MIF P14174 2/20 0.33
CHRM3 P20309 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33

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
SCHEMBL13175840 0.87 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL5317376 0.86 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL29650103 0.86 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL12199159 0.81 LMNA (0.45) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL29461904 0.81 MAPK1 (0.42) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL8259202 0.78 LMNA (0.43) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL31454882 0.78 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL30387113 0.78 LMNA (0.43) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL21219897 0.78 LMNA (0.43) SMN1; SMN2LMNAPOLBALDH1A1TSHR
SCHEMBL2989012 0.78 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBALDH1A1TSHR

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
EP-2228364-A1 Acylsulfonamides as inhibitors of steroid sulfatase Novartis AG (CH) 2010-09-15 EP disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 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 (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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 SMN1; SMN2 2881/4885LMNA 4393/4885POLB 2675/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO SMN1; SMN2 3691/4885LMNA 4383/4885POLB 1928/4885

“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.