SCHEMBL8258140

SCHEMBL8258140

CCCCOC(=O)OC1CCCC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8691011 0.87 NAAA (0.50) NAAAALDH1A1ATMHPGDTSHR
SCHEMBL6442592 0.86 NAAA (0.46) NAAAALDH1A1TSHRAKT1AKT2
SCHEMBL13945268 0.84 RAB9A (0.36) RAB9ATSHRCYP19A1
SCHEMBL6445738 0.84 NAAA (0.49) NAAAALDH1A1TSHRAKT1AKT2
SCHEMBL6448630 0.84 NAAA (0.49) NAAAALDH1A1TSHRAKT1AKT2
SCHEMBL6448360 0.84 NAAA (0.49) NAAAALDH1A1TSHRAKT1AKT2
SCHEMBL6442745 0.84 NAAA (0.49) NAAAALDH1A1TSHRAKT1AKT2
SCHEMBL450933 0.84 NAAA (0.54) NAAAALDH1A1ATMHPGDTSHR
SCHEMBL451499 0.82 NAAA (0.56) NAAAALDH1A1ATMHPGDTSHR
SCHEMBL8630971 0.82 NAAA (0.56) NAAAALDH1A1ATMHPGDTSHR

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 NAAA 89/4885ALDH1A1 676/4885ATM 2846/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO NAAA 572/4885ALDH1A1 560/4885ATM 4393/4885

“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.