SCHEMBL3258043

SCHEMBL3258043

COCCn1cc(CNC(=O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
JAK1 P23458 3/20 0.42
JAK3 P52333 3/20 0.42
JAK2 O60674 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLKB1 P03952 2/20 0.39
IKBKE Q14164 4/20 0.39
TBK1 Q9UHD2 4/20 0.39
TYK2 P29597 1/20 0.39
RAB9A P51151 1/20 0.38
RET P07949 1/20 0.38
CDK2 P24941 1/20 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
SCHEMBL27032879 0.79 LMNA (0.39) GAAJAK1JAK3JAK2TSHR
SCHEMBL26606609 0.77 ALDH1A1 (0.42) GAAMAPTJAK1JAK3JAK2
SCHEMBL2828291 0.77 L3MBTL1 (0.68) JAK1JAK3JAK2L3MBTL1HSD17B10
SCHEMBL4411971 0.77 GAA (0.42) GAAJAK1JAK3JAK2MEN1
SCHEMBL26606583 0.77 JAK1 (0.38) JAK1JAK3JAK2L3MBTL1ALDH1A1
SCHEMBL13734696 0.77 ALDH1A1 (0.58) GAAMAPTTSHRL3MBTL1MEN1
SCHEMBL3323704 0.77 MAP3K5 (0.51) MAPTJAK1JAK3JAK2ALDH1A1
SCHEMBL29746441 0.77 JAK2 (0.40) GAAMAPTJAK1JAK3JAK2
SCHEMBL22064000 0.76 L3MBTL1 (0.49) GAAMAPTJAK1JAK3JAK2
SCHEMBL23852945 0.75 FFAR1 (0.43) GAAMAPTTSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603975-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2013-12-10 US disclosed
EP-2150269-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-11-21 EP disclosed
EP-2455098-A1 New cyclic peptide compounds Astellas Pharma Inc. (JP) 2012-05-23 EP disclosed
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-05-13 US disclosed
EP-2150269-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2010-02-10 EP disclosed
WO-2008139986-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC., (JP) 2008-11-20 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-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, ZC3HAV1 GAA 2985/4885MAPT 4380/4885JAK1 1275/4885

“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.