SCHEMBL6785603

SCHEMBL6785603

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP13 P45452 6/20 0.42
MMP1 P03956 4/20 0.42
MMP2 P08253 4/20 0.42
MMP3 P08254 4/20 0.42
MMP7 P09237 4/20 0.42
MMP9 P14780 4/20 0.42
GPR119 Q8TDV5 1/20 0.41
ADAMTS4 O75173 1/20 0.39
RET P07949 2/20 0.39
EP300 Q09472 1/20 0.37
KIT P10721 1/20 0.36
MMP14 P50281 1/20 0.36
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6785595 1.00 SLC6A7 (0.43) SLC6A7GAAL3MBTL1MMP13MMP1
SCHEMBL6787489 0.90 MMP13 (0.45) SLC6A7GAAL3MBTL1MMP13MMP1
SCHEMBL6787492 0.90 MMP13 (0.45) SLC6A7GAAL3MBTL1MMP13MMP1
SCHEMBL6782110 0.87 MMP13 (0.44) SLC6A7MMP13MMP1MMP2MMP3
SCHEMBL6782104 0.87 MMP13 (0.44) SLC6A7MMP13MMP1MMP2MMP3
SCHEMBL6788180 0.84 SLC6A7 (0.43) SLC6A7MMP13MMP1MMP2MMP3
SCHEMBL6788170 0.84 SLC6A7 (0.43) SLC6A7MMP13MMP1MMP2MMP3
SCHEMBL6784942 0.82 TNF (0.38) KDM4ENPC1RAB9A
SCHEMBL6784944 0.82 TNF (0.38) KDM4ENPC1RAB9A
SCHEMBL6794275 0.81 CYP11B1 (0.40) HTR6KDM4ENPC1RAB9ACYP11B2

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 SLC6A7 454/4885GAA 87/4885L3MBTL1 1054/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 SLC6A7 454/4885GAA 87/4885L3MBTL1 1054/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 SLC6A7 454/4885GAA 87/4885L3MBTL1 1054/4885

“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.