SCHEMBL4877038

SCHEMBL4877038

Cc1ccccc1-c1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
GRIN2B Q13224 2/20 0.32
PPARG P37231 4/20 0.32
KDM4E B2RXH2 1/20 0.32
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
PRCP P42785 1/20 0.32
PPARA Q07869 1/20 0.31
BACE1 P56817 2/20 0.31

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
SCHEMBL13211483 0.90 FABP4 (0.38) HPGDUSP2POLBKDM4E
SCHEMBL2994392 0.83 KDM4E (0.40) HPGDUSP2POLBKDM4E
SCHEMBL4877046 0.83 MCL1 (0.40) MCL1HPGDPPARGKDM4EPPARA
SCHEMBL13211509 0.82 FABP4 (0.34) HPGDUSP2POLBKDM4EBACE1
SCHEMBL2997714 0.81 MAPT (0.38) GRIN2BPRKCAMMP12
SCHEMBL13211505 0.80 KDM4E (0.36) GRIN2BKDM4E
SCHEMBL27642142 0.80 FABP4 (0.35) USP2POLB
SCHEMBL2992060 0.79 FABP4 (0.34) USP2POLBKDM4E
SCHEMBL13211528 0.79 FABP4 (0.34) HPGDUSP2POLBKDM4EPRKCA
SCHEMBL2999724 0.79 NR1H4 (0.36) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 MCL1 1931/4885HDAC1 852/4885HDAC2 1172/4885

“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.