SCHEMBL8259131

SCHEMBL8259131

CCCCOC(=O)N1CC=C(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HRH2 P25021 6/20 0.41
▸ HRH1 P35367 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 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
SCHEMBL17888273 0.91 SLC6A15 (0.39) SMN1; SMN2LMNAPOLBALDH1A1TDP1
SCHEMBL7447957 0.88 MAPT (0.45) SMN1; SMN2LMNAPOLBALDH1A1TDP1
SCHEMBL11556626 0.83 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL19880920 0.82 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL29967028 0.80 SMN1; SMN2 (0.45) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL6270709 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL14144348 0.80 ALDH1A1 (0.54) SMN1; SMN2LMNAPOLBALDH1A1TDP1
SCHEMBL29948559 0.78 CNR1 (0.50) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL29650110 0.78 LMNA (0.47) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL1968116 0.78 SMN1; SMN2 (0.59) SMN1; SMN2LMNAPOLBHRH2HRH1

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.

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