SCHEMBL4757956

SCHEMBL4757956

Cn1nc(C(=O)O)cc1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
ALDH1A1 P00352 5/20 0.40
MDM2 Q00987 2/20 0.37
MCL1 Q07820 2/20 0.37
BCL2 P10415 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.36
APOBEC3A P31941 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ALOX15 P16050 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL17288939 0.82 KDM5A (0.43) PKMALDH1A1MDM2MCL1BCL2
SCHEMBL19127889 0.80 JMJD6 (0.37) PKMALDH1A1MDM2MCL1BCL2
SCHEMBL17011177 0.80 GAA (0.41) PKMALDH1A1MDM2MCL1BCL2
SCHEMBL15350128 0.80 PKM (0.43) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL9133007 0.79 LMNA (0.41) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL19128398 0.78 KMO (0.40) NR1H4
SCHEMBL632050 0.78 MDM2 (0.50) PKMMDM2MCL1BCL2MEN1
SCHEMBL21641169 0.77 HCAR2 (0.38) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL15350019 0.77 ALDH1A1 (0.39) PKMALDH1A1KDM4EAPOBEC3APOLB
SCHEMBL20797272 0.76 ALDH1A1 (0.65) PKMALDH1A1KDM4EKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-06-29 US disclosed
EP-1469856-A4 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2005-06-22 EP disclosed
EP-1469856-A2 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2004-10-27 EP disclosed
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-11-06 US disclosed
WO-2003063800-A2 8-HETEROARYL XANTHINE ADENOSINE A2B RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-08-07 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 (2 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-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 PKM 3668/4885ALDH1A1 251/4885MDM2 3678/4885
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 PKM 2953/4885ALDH1A1 980/4885MDM2 1985/4885

“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.