SCHEMBL8255504

SCHEMBL8255504

CC1CCN(c2cc(C(F)(F)F)ccc2C(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TRPV1 Q8NER1 5/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
CTPS1 P17812 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NR4A1 P22736 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL8261932 0.90 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL8259183 0.88 SCN10A (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL8259185 0.85 TRPV1 (0.46) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL8259744 0.84 SRPK1 (0.49) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL13938561 0.83 NPC1 (0.56) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL2924276 0.83 FFAR4 (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8259193 0.80 MGLL (0.39) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL8261085 0.80 STS (0.48) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL8259733 0.80 LIPG (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8261928 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTCTPS1KDM4E

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 8 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-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-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
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 ALDH1A1 676/4885SMN1; SMN2 2881/4885MAPT 3209/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO ALDH1A1 560/4885SMN1; SMN2 3691/4885MAPT 3544/4885

“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.