SCHEMBL6787489

SCHEMBL6787489

CC(C)C(CS(=O)(=O)N1CCN(c2ncc(-c3ccc(C#N)cc3)cn2)CC1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.45
MMP2 P08253 5/20 0.45
MMP3 P08254 5/20 0.45
MMP1 P03956 4/20 0.45
MMP7 P09237 4/20 0.45
MMP9 P14780 4/20 0.45
SLC6A7 Q99884 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
ADAM17 P78536 1/20 0.38
RET P07949 2/20 0.38
EP300 Q09472 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL6787492 1.00 MMP13 (0.45) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6785603 0.90 SLC6A7 (0.43) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6785595 0.90 SLC6A7 (0.43) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6783034 0.88 MMP13 (0.42) MMP13SLC6A7HDAC3HDAC4HDAC1
SCHEMBL6783038 0.88 MMP13 (0.42) MMP13SLC6A7HDAC3HDAC4HDAC1
SCHEMBL6783023 0.85 HDAC3 (0.41) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6783027 0.85 HDAC3 (0.41) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6786877 0.83 HDAC3 (0.37) MMP1RETHDAC3HDAC4HDAC1
SCHEMBL6786874 0.83 HDAC3 (0.37) MMP1RETHDAC3HDAC4HDAC1
SCHEMBL6784253 0.82 CTSS (0.40) ADAM17HDAC3HDAC4HDAC1HDAC7

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
EP-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP claimed
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 29/4885MMP2 33/4885MMP3 17/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 MMP13 29/4885MMP2 33/4885MMP3 17/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 MMP13 29/4885MMP2 33/4885MMP3 17/4885

“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.