SCHEMBL6787552

SCHEMBL6787552

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
SLC6A7 Q99884 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C2 P08235 1/20 0.34
EP300 Q09472 1/20 0.34
PPARA Q07869 1/20 0.33
IDH1 O75874 2/20 0.33
NAMPT P43490 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
CHRM4 P08173 2/20 0.32
CTSS P25774 1/20 0.32
AOC3 Q16853 1/20 0.32
FAAH O00519 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6977106 1.00 KIT (0.34) KITMMP13MMP14SLC6A7GAA
SCHEMBL6787549 1.00 KIT (0.34) KITMMP13MMP14SLC6A7GAA
SCHEMBL6865714 0.91 PPARA (0.34) PPARAIDH1NAMPTAOC3
SCHEMBL6782024 0.91 LMNA (0.34) MMP13MMP14PPARAIDH1NAMPT
SCHEMBL6865711 0.91 PPARA (0.34) PPARAIDH1NAMPTAOC3
SCHEMBL6782020 0.91 LMNA (0.34) MMP13MMP14PPARAIDH1NAMPT
SCHEMBL7087789 0.90 RET (0.34) MMP13MMP14L3MBTL1PPARAIDH1
SCHEMBL7087788 0.90 RET (0.34) MMP13MMP14L3MBTL1PPARAIDH1
SCHEMBL6788725 0.89 PPARA (0.34) SLC6A7PPARAIDH1NAMPTALDH1A1
SCHEMBL6788729 0.89 PPARA (0.34) SLC6A7PPARAIDH1NAMPTALDH1A1

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 7 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-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 KIT 2965/4885MMP13 29/4885MMP14 22/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 KIT 2965/4885MMP13 29/4885MMP14 22/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 KIT 2965/4885MMP13 29/4885MMP14 22/4885

“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.