SCHEMBL6782104

SCHEMBL6782104

CC(C)C(CS(=O)(=O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.44
MMP14 P50281 3/20 0.44
CYP3A4 P08684 2/20 0.44
ADAMTS4 O75173 2/20 0.44
KCNH2 Q12809 2/20 0.44
SLC6A7 Q99884 1/20 0.40
ACACB O00763 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6782110 1.00 MMP13 (0.44) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL6783034 0.89 MMP13 (0.42) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL6788170 0.89 SLC6A7 (0.43) MMP13CYP3A4ADAMTS4SLC6A7MMP1
SCHEMBL6788180 0.89 SLC6A7 (0.43) MMP13CYP3A4ADAMTS4SLC6A7MMP1
SCHEMBL6783038 0.89 MMP13 (0.42) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL6785900 0.89 MMP13 (0.43) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL6785894 0.89 MMP13 (0.43) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL6785595 0.87 SLC6A7 (0.43) MMP13MMP14ADAMTS4SLC6A7MMP1
SCHEMBL6785603 0.87 SLC6A7 (0.43) MMP13MMP14ADAMTS4SLC6A7MMP1
SCHEMBL6784942 0.85 TNF (0.38) KDM4ENPC1RAB9A

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 6 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
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 (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 MMP13 29/4885MMP14 22/4885CYP3A4 3171/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 MMP13 29/4885MMP14 22/4885CYP3A4 3171/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 MMP13 29/4885MMP14 22/4885CYP3A4 3171/4885

“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.