SCHEMBL6538714

SCHEMBL6538714

CC(C)N(C(=O)C[O])C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SRD5A2 P31213 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8904981 0.80 ALDH1A1 (0.36) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL944640 0.79 MEN1 (0.39) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL95763 0.78 ALDH1A1 (0.35) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL4146905 0.77 ALDH1A1 (0.37) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL6538716 0.77 ALDH1A1 (0.37) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL10106489 0.74 ALDH1A1 (0.46) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL7778347 0.74 ALDH1A1 (0.36) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL5695058 0.74 ALDH1A1 (0.39) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL21561629 0.74 ALDH1A1 (0.44) ALDH1A1SRD5A2MEN1KMT2APKM
SCHEMBL5344981 0.74 ALDH1A1 (0.40) ALDH1A1SRD5A2MEN1KMT2APKM

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-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
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0555825-A1 Imidazo(1,2-a)pyridines as angiotensin-II-antagonists Dr. Karl Thomae GmbH (DE) 1993-08-18 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ALDH1A1 578/4885SRD5A2 507/4885MEN1 1428/4885

“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.