SCHEMBL6786249

SCHEMBL6786249

O=C(O)C1(CS(=O)(=O)N2CCN(c3ncc(-c4ccc(F)cc4)cn3)CC2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.47
MMP13 P45452 3/20 0.43
ABL1 P00519 3/20 0.40
BCR P11274 3/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
MMP14 P50281 1/20 0.39
SLC6A7 Q99884 1/20 0.38
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
DGAT1 O75907 1/20 0.36
GRIN2B Q13224 1/20 0.36
MMP1 P03956 2/20 0.36
ADAM10 O14672 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 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
SCHEMBL6788336 0.90 MMP13 (0.44) ADAMTS4MMP13CYP3A4POLBLMNA
SCHEMBL6783061 0.90 MMP2 (0.45) ADAMTS4MMP13ABL1BCRCYP3A4
SCHEMBL4808185 0.84 ADAMTS4 (0.63) ADAMTS4MMP13CYP3A4POLBLMNA
SCHEMBL7119358 0.83 MMP13 (0.44) ADAMTS4MMP13CYP3A4POLBLMNA
SCHEMBL6974852 0.82 ADAMTS4 (0.43) ADAMTS4MMP13ABL1BCRCYP3A4
SCHEMBL6788003 0.80 MMP13 (0.43) ADAMTS4MMP13CYP3A4POLBLMNA
SCHEMBL6785472 0.79 MMP13 (0.44) ADAMTS4MMP13CYP3A4POLBLMNA
SCHEMBL6783113 0.77 ADAMTS4 (0.43) ADAMTS4CYP3A4POLBLMNAMMP1
SCHEMBL6782185 0.73 ADAMTS4 (0.49) ADAMTS4MMP13CYP3A4POLBLMNA
SCHEMBL4816291 0.73 ADAMTS4 (0.60) ADAMTS4MMP13CYP3A4POLBLMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216404-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-11-20 US 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
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 ADAMTS4 10/4885MMP13 29/4885ABL1 3454/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 ADAMTS4 10/4885MMP13 29/4885ABL1 3454/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 ADAMTS4 10/4885MMP13 29/4885ABL1 3454/4885

“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.