SCHEMBL2902664

SCHEMBL2902664

CCOC(=O)CC(=O)[C@@H]1C[C@H](NC(=O)OCc2ccccc2)CN(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.47
HSD11B1 P28845 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
EPHX1 P07099 1/20 0.45
DPP4 P27487 5/20 0.43
DPP7 Q9UHL4 5/20 0.43
KCNH2 Q12809 3/20 0.42
CPB1 P15086 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR4 O00206 1/20 0.41

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
SCHEMBL12991422 0.88 HSD11B1 (0.45) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL30687256 0.84 ALDH1A1 (0.64) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL2902121 0.84 ALDH1A1 (0.64) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL26986498 0.84 ALDH1A1 (0.64) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL21811810 0.84 ALDH1A1 (0.54) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL25270147 0.80 ALDH1A1 (0.54) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL25263312 0.80 ALDH1A1 (0.54) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL21811704 0.79 ALDH1A1 (0.51) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL11889605 0.77 ALDH1A1 (0.56) ALDH1A1GAATSHRHSD11B1CTSL
SCHEMBL11889131 0.77 ALDH1A1 (0.56) ALDH1A1GAATSHRHSD11B1CTSL

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-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT ALDH1A1 897/4885GAA 530/4885TSHR 2220/4885

“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.