SCHEMBL5882894

SCHEMBL5882894

O=CN(O)[C@@H](CCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.90
MMP13 P45452 3/20 0.90
MMP7 P09237 1/20 0.69
CXCR3 P49682 7/20 0.45
MMP14 P50281 2/20 0.44
ADAMTS4 O75173 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.43
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5883446 1.00 CYP3A4 (0.90) CYP3A4MMP13MMP7CXCR3MMP14
SCHEMBL5883925 0.95 CYP3A4 (1.00) CYP3A4MMP13MMP7CXCR3MMP14
SCHEMBL14259982 0.95 CYP3A4 (1.00) CYP3A4MMP13MMP7CXCR3MMP14
SCHEMBL14252797 0.91 CYP3A4 (0.78) CYP3A4MMP13MMP7CXCR3MMP14
SCHEMBL3940017 0.88 CYP3A4 (0.72) CYP3A4MMP13MMP7MMP14ADAMTS4
SCHEMBL13923643 0.88 CYP3A4 (0.72) CYP3A4MMP13MMP7MMP14ADAMTS4
SCHEMBL5883710 0.87 MMP7 (0.72) CYP3A4MMP13MMP7MMP14ADAMTS4
SCHEMBL5883961 0.87 MMP7 (0.72) CYP3A4MMP13MMP7MMP14ADAMTS4
SCHEMBL5883099 0.87 MMP7 (0.72) CYP3A4MMP13MMP7MMP14ADAMTS4
SCHEMBL5916481 0.87 CYP3A4 (0.83) CYP3A4MMP13MMP7CXCR3MMP14

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-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-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 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
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 CYP3A4 578/4885MMP13 1/4885MMP7 16/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 CYP3A4 1526/4885MMP13 3/4885MMP7 18/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 CYP3A4 578/4885MMP13 1/4885MMP7 16/4885

“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.