SCHEMBL2199255

SCHEMBL2199255

COc1cccc(C(=O)N(C)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.65
CES1 P23141 1/20 0.65
PARP1 P09874 1/20 0.61
HSD17B2 P37059 2/20 0.57
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
STS P08842 1/20 0.50
HSD17B1 P14061 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL30870831 0.87 CES2 (0.67) CES2CES1PARP1HSD17B2NPC1
SCHEMBL2540656 0.87 CES2 (0.67) CES2CES1PARP1HSD17B2NPC1
SCHEMBL307622 0.84 CES2 (0.62) CES2CES1PARP1HSD17B2NPC1
SCHEMBL9876838 0.83 AKR1C3 (0.64) NPC1SMN1; SMN2KDM4E
SCHEMBL3279166 0.82 KMT2A (0.53) MEN1KMT2ACYP3A4CYP2C9
SCHEMBL12469448 0.82 HPGD (0.70) HSD17B2NPC1RAB9AMEN1KMT2A
SCHEMBL14319078 0.81 CES2 (0.59) CES2CES1PARP1HSD17B2NPC1
SCHEMBL21425705 0.81 MEN1 (0.60) CES2CES1PARP1HSD17B2NPC1
SCHEMBL2353790 0.81 CES2 (0.59) CES2CES1PARP1HSD17B2NPC1
SCHEMBL1436162 0.81 ALDH1A1 (0.46) CES2CES1MEN1KMT2AABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977383-B2 Containing alkali ions, electrolytes, a buffer, polyol, saccharide and hydroxamic acid derivatives DR. FRANZ KOEHLER CHEMIE GMBH (DE) 2011-07-12 US disclosed
US-20030215781-A1 Protective solutions for organs DR. FRANZ KOEHLER CHEMIE GMBH (DE) 2003-11-20 US 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-20030215781-A1 Protective solutions for organs GLS, CA1, SI CES2 1601/4885CES1 1096/4885PARP1 1108/4885

“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.