SCHEMBL2012481

SCHEMBL2012481

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
GRM6 O15303 1/20 0.40
ELANE P08246 2/20 0.39
CTSG P08311 1/20 0.39
PRTN3 P24158 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.38
AMPD2 Q01433 2/20 0.38

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
SCHEMBL2012480 0.85 PLA2G10 (0.39) GAAMAPTGRM6ALDH1A1THRB
SCHEMBL2012033 0.81 MAPT (0.36) MAPTALDH1A1TSHRPOLBTHRB
SCHEMBL2015469 0.80 RAB9A (0.47) MAPTALDH1A1POLBTHRB
SCHEMBL2014151 0.79 HTT (0.41) GAAMAPTATMALDH1A1SMN1; SMN2
SCHEMBL2013353 0.76 CACNA1G (0.45) GAAMAPTALDH1A1TSHRPOLB
SCHEMBL2015667 0.75 SIGMAR1 (0.54) POLB
SCHEMBL2014597 0.73 KDM4E (0.40) MAPTALDH1A1
SCHEMBL2014123 0.71 AOC3 (0.46) MAPTALDH1A1POLB
SCHEMBL2011927 0.71 ALDH1A1 (0.50) MAPTALDH1A1TSHRPOLB
SCHEMBL2014401 0.71 BCHE (0.38) MAPTGRM6ALDH1A1POLBAMPD2

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 19/4885MAPT 809/4885ATM 3546/4885

“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.