SCHEMBL6786359

SCHEMBL6786359

CC(C)C(CS(=O)(=O)N1CCN(c2ncc(-c3cccnc3)cn2)CC1)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.37
NAMPT P43490 2/20 0.37
DAGLB Q8NCG7 1/20 0.35
AOC3 Q16853 4/20 0.35
PPARA Q07869 1/20 0.34
PRMT5 O14744 1/20 0.33
CTSS P25774 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPA1 O75762 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
SCHEMBL6786363 1.00 IDH1 (0.37) IDH1NAMPTDAGLBAOC3PPARA
SCHEMBL6782020 0.89 LMNA (0.34) IDH1NAMPTPPARAKDM4ERORC
SCHEMBL6865714 0.89 PPARA (0.34) IDH1NAMPTAOC3PPARARORC
SCHEMBL6865711 0.89 PPARA (0.34) IDH1NAMPTAOC3PPARARORC
SCHEMBL6782024 0.89 LMNA (0.34) IDH1NAMPTPPARAKDM4ERORC
SCHEMBL6787766 0.88 AOC3 (0.35) IDH1NAMPTAOC3PPARA
SCHEMBL6789688 0.88 AOC3 (0.35) IDH1NAMPTAOC3PPARA
SCHEMBL6977106 0.87 KIT (0.34) IDH1NAMPTAOC3PPARACTSS
SCHEMBL6787552 0.87 KIT (0.34) IDH1NAMPTAOC3PPARACTSS
SCHEMBL6787549 0.87 KIT (0.34) IDH1NAMPTAOC3PPARACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266764-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT 2004-12-30 US disclosed
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-6787536-B2 A HYDROXAMIC ACID COMPOUND CONTAINING HETEROAROMATIC RING ATTACHED TO SULFONYL GROUP THROUGH NITROGEN ATOM, INHIBITOR OF MATRIX METALLOPRETEINASE, USEFUL FOR TREATING DEGENERATIVE DISEASES AND CERTAIN CANCER DARWIN DISCOVERY LIMITED (GB) 2004-09-07 US disclosed
US-20030216404-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-11-20 US disclosed
EP-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP disclosed
EP-1282614-A1 HYDROXAMIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2003-02-12 EP disclosed
US-20020037900-A1 Hydroxamic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-03-28 US disclosed
WO-2001087870-A1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2001-11-22 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 (3 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 IDH1 521/4885NAMPT 108/4885DAGLB 4027/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 IDH1 521/4885NAMPT 108/4885DAGLB 4027/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 IDH1 521/4885NAMPT 108/4885DAGLB 4027/4885

“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.