SCHEMBL4877046

SCHEMBL4877046

Cc1ccccc1-c1ccc(-c2c(-c3ccccc3)c3sc(C(=O)O)cc3n2CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
HPGD P15428 2/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK14 Q16539 1/20 0.36
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL4877038 0.83 MCL1 (0.35) MCL1HPGDKDM4EPPARGPPARA
SCHEMBL2994395 0.81 KDM4E (0.47) HPGDKDM4EHSD17B10AKR1A1AKR1B1
SCHEMBL2997718 0.79 GRIN2B (0.40) HPGDKDM4E
SCHEMBL2999727 0.78 KDM4E (0.42) HPGDKDM4EAKR1B1PTGDR2
SCHEMBL4875109 0.76 PTGES (0.43) PTGDR2
SCHEMBL2992063 0.76 KDM4E (0.39) HPGDKDM4EHSD17B10
SCHEMBL2987941 0.76 GRIN2B (0.38)
SCHEMBL2998612 0.76 AR (0.42) KDM4EL3MBTL1
SCHEMBL422946 0.74 SMN1; SMN2 (0.41)
SCHEMBL423331 0.74 TSPO (0.43) HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1931/4885HPGD 2973/4885GRIA2 4342/4885

“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.