SCHEMBL563236

SCHEMBL563236

Cc1nc(OC[C@H]2COC(C)(C)O2)nc(C)c1-c1cccc(CO)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL10203689 1.00 KCNJ5 (0.38) KCNJ5KCNJ3PDCD1CD274KDM4E
SCHEMBL13091941 0.83 KCNJ5 (0.39) KCNJ5KCNJ3PDCD1CD274MAPK14
SCHEMBL10203755 0.83 KCNJ5 (0.39) KCNJ5KCNJ3PDCD1CD274MAPK14
SCHEMBL10203713 0.83 KDM4E (0.36) KCNJ5KCNJ3KDM4EMEN1ALDH1A1
SCHEMBL10203712 0.83 KDM4E (0.36) KCNJ5KCNJ3KDM4EMEN1ALDH1A1
SCHEMBL10203682 0.82 MAPK14 (0.35) KCNJ5KCNJ3KDM4EMEN1ALDH1A1
SCHEMBL10203678 0.82 MAPK14 (0.35) KCNJ5KCNJ3KDM4EMEN1ALDH1A1
SCHEMBL13091952 0.81 ALDH1A1 (0.36) KCNJ5KCNJ3KDM4EMEN1ALDH1A1
SCHEMBL13092227 0.81 KDM4E (0.34) KCNJ5KCNJ3KDM4EMEN1ALDH1A1
SCHEMBL13091951 0.81 ALDH1A1 (0.36) KCNJ5KCNJ3KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
WO-2010123017-A1 TETRAZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 KCNJ5 391/4885KCNJ3 631/4885PDCD1 4394/4885

“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.