SCHEMBL6782185

SCHEMBL6782185

O=C(O)C1(CS(=O)(=O)N2CCN(c3ccc(Br)cc3)CC2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.49
AKR1C3 P42330 1/20 0.47
MMP2 P08253 6/20 0.46
MMP9 P14780 6/20 0.46
MMP3 P08254 3/20 0.46
ADAM10 O14672 1/20 0.46
MMP1 P03956 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MMP13 P45452 6/20 0.43
POLB P06746 2/20 0.43
CYP3A4 P08684 1/20 0.41
MMP14 P50281 3/20 0.40
MMP8 P22894 2/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
EIF4H Q15056 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL6782627 0.88 MMP2 (0.56) ADAMTS4AKR1C3MMP2MMP9MMP3
SCHEMBL4808185 0.88 ADAMTS4 (0.63) ADAMTS4AKR1C3MMP2MMP9MMP3
SCHEMBL7191289 0.87 MMP2 (0.44) ADAMTS4AKR1C3MMP2MMP9MMP3
SCHEMBL6783113 0.80 ADAMTS4 (0.43) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL4816291 0.78 ADAMTS4 (0.60) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL12152323 0.78 MMP2 (0.61) ADAMTS4AKR1C3MMP2MMP9MMP3
SCHEMBL7249415 0.77 POLB (0.44) ADAMTS4AKR1C3MMP2MMP9MMP3
SCHEMBL7253303 0.75 MEN1 (0.43) ADAMTS4AKR1C3MMP2MMP9MMP3
SCHEMBL5717251 0.75 POLB (0.51) AKR1C3KDM4EPOLBTSHRALDH1A1
SCHEMBL7090534 0.74 ADAM10 (0.42) ADAMTS4MMP2MMP9MMP3ADAM10

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 ADAMTS4 10/4885AKR1C3 1673/4885MMP2 33/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 ADAMTS4 10/4885AKR1C3 1673/4885MMP2 33/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 ADAMTS4 10/4885AKR1C3 1673/4885MMP2 33/4885

“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.