SCHEMBL2012135

SCHEMBL2012135

CC1(C)CN(Cc2ccccc2)CC(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ELANE P08246 2/20 0.45
CTSG P08311 1/20 0.45
PRTN3 P24158 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 4/20 0.43
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
MC4R P32245 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL2074248 0.76 GAA (0.61) GAAELANEMEN1KMT2ATSHR
SCHEMBL2014512 0.74 PIK3CD (0.38) GAA
SCHEMBL2734368 0.74 SIGMAR1 (0.54) GAAELANECTSGSIGMAR1MC4R
SCHEMBL17384429 0.74 ELANE (0.47) GAAELANECTSGPRTN3TSHR
SCHEMBL3318278 0.74 PIK3CD (0.51) GAAELANECTSGPRTN3MEN1
SCHEMBL2011850 0.73 NPC1 (0.42) GAATSHRALDH1A1CYP2D6
SCHEMBL19031121 0.72 GAA (0.55) GAAELANEMEN1KMT2ATSHR
SCHEMBL13484401 0.72 ELANE (0.56) GAAELANECTSGPRTN3MEN1
SCHEMBL14463068 0.72 GAA (0.55) GAAELANECTSGPRTN3MEN1
SCHEMBL23580081 0.71 GAA (0.59) GAAELANECTSGPRTN3MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP disclosed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US disclosed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 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 (1 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-20120252801-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 GAA 19/4885ELANE 297/4885CTSG 145/4885

“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.