SCHEMBL6785472

SCHEMBL6785472

COC(=O)C1(CS(=O)(=O)N2CCN(c3ncc(-c4ccc(F)cc4)cn3)CC2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.44
ADAMTS4 O75173 3/20 0.39
CYP3A4 P08684 1/20 0.39
MMP14 P50281 1/20 0.38
SLC6A7 Q99884 1/20 0.37
ACACB O00763 1/20 0.37
CXCR3 P49682 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A9 P48067 1/20 0.35
PKM P14618 1/20 0.35
PHGDH O43175 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
SCHEMBL7119358 0.96 MMP13 (0.44) MMP13ADAMTS4CYP3A4MMP14SLC6A7
SCHEMBL6788336 0.88 MMP13 (0.44) MMP13ADAMTS4CYP3A4MMP14SLC6A7
SCHEMBL6788003 0.88 MMP13 (0.43) MMP13ADAMTS4CYP3A4MMP14SLC6A7
SCHEMBL6786249 0.79 ADAMTS4 (0.47) MMP13ADAMTS4CYP3A4MMP14SLC6A7
SCHEMBL6783061 0.79 MMP2 (0.45) MMP13ADAMTS4CYP3A4MMP14LMNA
SCHEMBL6974852 0.75 ADAMTS4 (0.43) MMP13ADAMTS4CYP3A4MMP14SLC6A7
SCHEMBL6969646 0.72 HDAC6 (0.43) SLC6A7LMNAPOLBSIGMAR1ALDH1A1
SCHEMBL6644916 0.72 LMNA (0.56) SLC6A7KMT2ALMNASIGMAR1KDM4E
SCHEMBL6782110 0.71 MMP13 (0.44) MMP13ADAMTS4CYP3A4MMP14SLC6A7
SCHEMBL6782104 0.71 MMP13 (0.44) MMP13ADAMTS4CYP3A4MMP14SLC6A7

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 MMP13 29/4885ADAMTS4 10/4885CYP3A4 3171/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 MMP13 29/4885ADAMTS4 10/4885CYP3A4 3171/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 MMP13 29/4885ADAMTS4 10/4885CYP3A4 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.