Sugi Predict

Sugi Predict / Compounds / SCHEMBL5883424

SCHEMBL5883424

SCHEMBL5883424

O=S(=O)(CC(CCCc1ncccn1)NO)N1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP7 P09237 1/20 0.53
▸ CYP3A4 P08684 3/20 0.43
▸ MMP13 P45452 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ MMP14 P50281 2/20 0.37
▸ TP53 P04637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CTSS P25774 2/20 0.34
▸ ADAMTS4 O75173 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC3 O15379 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
SCHEMBL6647886 0.84 MMP7 (0.41) MMP7CYP3A4MMP13MMP14TP53
SCHEMBL8304525 0.84 CYP3A4 (0.46) MMP7CYP3A4MMP13POLBMMP14
SCHEMBL5883992 0.81 MMP7 (0.79) MMP7CYP3A4MMP13POLBMMP14
SCHEMBL7452235 0.80 POLB (0.42) MMP7CYP3A4MMP13POLBMMP14
SCHEMBL6646743 0.79 LMNA (0.45) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL6647516 0.78 MMP7 (0.44) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14259940 0.78 CYP3A4 (0.71) MMP7CYP3A4MMP13KDM4EMAPT
SCHEMBL6644919 0.78 MMP7 (0.53) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL6644045 0.78 CYP3A4 (0.43) MMP7CYP3A4MMP13MMP14KDM4E
SCHEMBL6644967 0.77 MMP7 (0.52) MMP7CYP3A4MMP13POLBMMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.