SCHEMBL6865714

SCHEMBL6865714

CC(C)[C@@H](CS(=O)(=O)N1CCN(c2ncc(-c3ccc(Cl)cc3)cn2)CC1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.34
IDH1 O75874 7/20 0.34
NAMPT P43490 2/20 0.34
CCR1 P32246 1/20 0.33
CHIT1 Q13231 3/20 0.32
CHIA Q9BZP6 3/20 0.32
RORC P51449 1/20 0.32
CHI3L1 P36222 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC1 Q13547 2/20 0.32
AOC3 Q16853 1/20 0.32
TP53 P04637 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
SCHEMBL6865711 1.00 PPARA (0.34) PPARAIDH1NAMPTCCR1CHIT1
SCHEMBL6787766 0.93 AOC3 (0.35) PPARAIDH1NAMPTHDAC1AOC3
SCHEMBL6789688 0.93 AOC3 (0.35) PPARAIDH1NAMPTHDAC1AOC3
SCHEMBL6782024 0.93 LMNA (0.34) PPARAIDH1NAMPTRORCKCNH2
SCHEMBL6782020 0.93 LMNA (0.34) PPARAIDH1NAMPTRORCKCNH2
SCHEMBL6782817 0.92 RORC (0.35) PPARAIDH1NAMPTCHIT1CHIA
SCHEMBL6831648 0.92 RORC (0.35) PPARAIDH1NAMPTCHIT1CHIA
SCHEMBL7090855 0.92 RORC (0.35) PPARAIDH1NAMPTCHIT1CHIA
SCHEMBL6977106 0.91 KIT (0.34) PPARAIDH1NAMPTAOC3
SCHEMBL6787552 0.91 KIT (0.34) PPARAIDH1NAMPTAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809100-B2 2-(4-(4-FURAN-2-YLPHENYL)PIPERAZINE-1-SULFONYLMETHYL)-N-HYDROXY -3-METHYLBUTYRAMIDE, FOR EXAMPLE; TREATMENT OF CANCER, INFLAMMATION, OR AN AUTOIMMUNE, INFECTIOUS OR OCULAR DISEASE DARWIN DISCOVERY LTD. (GB) 2004-10-26 US disclosed
US-20020037900-A1 Hydroxamic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-03-28 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-20020037900-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 PPARA 1955/4885IDH1 521/4885NAMPT 108/4885

“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.