SCHEMBL6786580

SCHEMBL6786580

COC(=O)C1(CS(=O)(=O)N2CCN(c3ccc(-c4cccnc4)cc3)CC2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ADAMTS4 O75173 1/20 0.40
DYRK1A Q13627 1/20 0.40
NAMPT P43490 2/20 0.40
GSK3B P49841 1/20 0.40
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
CYP17A1 P05093 2/20 0.38
CYP21A2 P08686 2/20 0.38
CYP11B1 P15538 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7090534 0.97 ADAM10 (0.42) ADAM10MMP1MMP2MMP3MMP9
SCHEMBL6783113 0.89 ADAMTS4 (0.43) ADAM10MMP1MMP2MMP3MMP9
SCHEMBL6787212 0.88 MMP2 (0.51) ADAM10MMP1MMP2MMP3MMP9
SCHEMBL6977692 0.82 MMP2 (0.40) ADAM10MMP1MMP2MMP3MMP9
SCHEMBL7191289 0.74 MMP2 (0.44) ADAM10MMP1MMP2MMP3MMP9
SCHEMBL942582 0.72 MMP13 (0.53)
SCHEMBL6787117 0.71 CYP11B1 (0.42) MAPTTHRBADAMTS4DYRK1ACYP17A1
SCHEMBL6782094 0.71 CYP11B1 (0.44) MAPTTHRBDYRK1ACYP17A1CYP21A2
SCHEMBL6785924 0.69 MMP2 (0.52) ADAM10MMP1MMP2MMP3MMP9
SCHEMBL4806731 0.69 ADAMTS4 (0.53) ADAM10MMP1MMP2MMP3MMP9

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 ADAM10 2/4885MMP1 31/4885MMP2 33/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 ADAM10 2/4885MMP1 31/4885MMP2 33/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 ADAM10 2/4885MMP1 31/4885MMP2 33/4885

“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.