SCHEMBL24997685

SCHEMBL24997685

COc1ccc(C(C)C(C)C)c2c1c(NS(C)(=O)=O)nn2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ BRD4 O60885 4/20 0.36
▸ SYK P43405 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ APLNR P35414 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ EDNRA P25101 1/20 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
SCHEMBL26380817 0.90 CCR4 (0.39) CCR4MAPTKMT2ABRD4SYK
SCHEMBL16006818 0.81 CCR4 (0.41) CCR4MAPTKMT2ABRD4KDM4E
SCHEMBL15995809 0.80 CCR4 (0.41) CCR4MAPTKMT2ABRD4KDM4E
SCHEMBL17621275 0.79 CCR4 (0.40) CCR4MAPTKMT2ABRD4SYK
SCHEMBL19788792 0.78 CCR4 (0.42) CCR4MAPTKMT2ABRD4KDM4E
SCHEMBL19999745 0.75 L3MBTL1 (0.37) CCR4
SCHEMBL24997652 0.74 L3MBTL1 (0.38) KMT2ABRD4KDM4EHPGDMEN1
SCHEMBL19788791 0.73 L3MBTL1 (0.37) —
SCHEMBL16006420 0.68 PTGS2 (0.35) MAPTBRD4
SCHEMBL15995734 0.67 PTGS2 (0.34) —

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-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 — — 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-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 CCR4 311/4885MAPT 170/4885KMT2A 3427/4885

“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.

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