SCHEMBL2015197

SCHEMBL2015197

CC(C)(O)CN(CC(=O)O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
RORC P51449 1/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
AKT1 P31749 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
SCHEMBL2518042 0.86 ALDH1A1 (0.46) RIPK1MMP1MMP2MMP9MMP13
SCHEMBL212272 0.84 AKR1B1 (0.52) MMP1MMP2MMP9MMP13MEN1
SCHEMBL2050631 0.82 ALDH1A1 (0.45) RIPK1MEN1HTTKMT2AL3MBTL1
SCHEMBL2073758 0.82 RORC (0.39) RIPK1MMP1MMP2MMP9MMP13
SCHEMBL186172 0.82 MEP1B (0.50) MMP1MMP2MMP9MMP13MEN1
Ammonia Solution, Strong SCHEMBL27504556 0.80 MEP1B (0.49) MMP1MMP2MMP9MMP13MEN1
SCHEMBL16520408 0.79 NPC1 (0.47) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5337605 0.79 LMNA (0.55) L3MBTL1CA12LMNA
SCHEMBL12788511 0.79 MEN1 (0.43) RIPK1MEN1HTTKMT2AL3MBTL1
SCHEMBL11586184 0.78 MEP1B (0.47) MMP1MMP2MMP9MMP13MEN1

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 RIPK1 3518/4885MMP1 3850/4885MMP2 2449/4885

“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.