SCHEMBL5883512

SCHEMBL5883512

O=CN(O)[C@@H](CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 1.00
CYP3A4 P08684 3/20 0.77
MMP13 P45452 3/20 0.77
MMP14 P50281 2/20 0.42
ADAMTS4 O75173 1/20 0.42
KCNH2 Q12809 1/20 0.42
CXCR3 P49682 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 3/20 0.37
CTSS P25774 3/20 0.36
HSD17B10 Q99714 2/20 0.35
AKR1C3 P42330 1/20 0.35
RORC P51449 2/20 0.33
ADRB2 P07550 1/20 0.33
PANK3 Q9H999 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL5883894 1.00 MMP7 (1.00) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL5883959 0.91 MMP7 (0.83) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL14252779 0.90 MMP7 (0.81) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL5883208 0.90 MMP7 (0.81) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL5883992 0.88 MMP7 (0.79) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL14259982 0.87 CYP3A4 (1.00) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL6671340 0.87 MMP7 (0.77) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL5883925 0.87 CYP3A4 (1.00) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL12463631 0.86 MMP7 (0.76) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL6674663 0.86 MMP7 (0.76) MMP7CYP3A4MMP13MMP14ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287338-A1 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-12-21 US claimed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US claimed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 US claimed
US-20060287338-A1 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-12-21 US disclosed
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 US disclosed
EP-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 US disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 MMP7 16/4885CYP3A4 578/4885MMP13 1/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 MMP7 18/4885CYP3A4 1526/4885MMP13 3/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 MMP7 16/4885CYP3A4 578/4885MMP13 1/4885

“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.