SCHEMBL2558719

SCHEMBL2558719

NC(=O)CCOc1ccc(C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
PARP10 Q53GL7 2/20 0.50
PARP3 Q9Y6F1 1/20 0.50
KMT2A Q03164 1/20 0.50
LTA4H P09960 1/20 0.46
PPARA Q07869 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP2A6 P11509 1/20 0.42
STS P08842 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL2562113 0.84 L3MBTL1 (0.62) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL246234 0.81 ALDH1A1 (0.54) ALDH1A1HPGDPARP10PARP3KMT2A
SCHEMBL851166 0.80 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL2558431 0.80 MAOA (0.53) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL17122910 0.79 LTA4H (0.48) PARP10LTA4HL3MBTL1
SCHEMBL10745399 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL28645314 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL1250574 0.79 PPARA (0.64) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL5090074 0.78 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8551794 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ALDH1A1 578/4885SMN1; SMN2 2439/4885MAPT 2594/4885

“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.