Sugi Predict

Sugi Predict / Compounds / SCHEMBL5884462

SCHEMBL5884462

SCHEMBL5884462

O=CN(O)[C@@H](CCc1ncc(F)cn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP7 P09237 1/20 0.61
▸ MMP13 P45452 6/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ ADAMTS4 O75173 6/20 0.52
▸ MMP14 P50281 5/20 0.52
▸ KCNH2 Q12809 3/20 0.52
▸ MMP1 P03956 3/20 0.45
▸ TMEM97 Q5BJF2 4/20 0.38
▸ SIGMAR1 Q99720 4/20 0.38
▸ HTR1A P08908 3/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SMO Q99835 2/20 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
SCHEMBL5883498 1.00 MMP7 (0.61) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL5883961 0.91 MMP7 (0.72) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL5883710 0.91 MMP7 (0.72) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL5883099 0.91 MMP7 (0.72) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL5990833 0.88 MMP7 (0.59) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL5990830 0.88 MMP7 (0.59) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL14252779 0.86 MMP7 (0.81) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL5883208 0.86 MMP7 (0.81) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL4818308 0.86 MMP7 (0.60) MMP7MMP13CYP3A4ADAMTS4MMP14
SCHEMBL12463859 0.85 MMP7 (0.59) MMP7MMP13CYP3A4ADAMTS4MMP14

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-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
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 MMP7 16/4885MMP13 1/4885CYP3A4 578/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 MMP7 18/4885MMP13 3/4885CYP3A4 1526/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 MMP7 16/4885MMP13 1/4885CYP3A4 578/4885

“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.