SCHEMBL5883129

SCHEMBL5883129

O=S(=O)(C=CCCCc1ncccn1)N1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL5883127 1.00 MMP7 (0.42) MMP7TSHRLMNAMEN1KMT2A
SCHEMBL6645607 0.86 MMP7 (0.57) MMP7LMNAMEN1KMT2AMAPT
SCHEMBL6806731 0.86 MMP7 (0.57) MMP7LMNAMEN1KMT2AMAPT
SCHEMBL6650377 0.86 MMP7 (0.57) MMP7LMNAMEN1KMT2AMAPT
SCHEMBL6643214 0.84 MMP7 (0.42) MMP7LMNAMEN1KMT2AGAA
SCHEMBL6807235 0.84 MMP7 (0.42) MMP7LMNAMEN1KMT2AGAA
SCHEMBL6807231 0.84 MMP7 (0.42) MMP7LMNAMEN1KMT2AGAA
SCHEMBL6811849 0.83 DRD3 (0.36) TSHRLMNAMEN1KMT2AGAA
SCHEMBL6646411 0.83 DRD3 (0.36) TSHRLMNAMEN1KMT2AGAA
SCHEMBL3934582 0.81 MAPT (0.39) MMP7TSHRLMNAMEN1KMT2A

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 disclosed
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-09-16 US disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US disclosed
EP-1417181-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 US disclosed
WO-2003014092-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 WO 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 (4 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 16/4885TSHR 4597/4885LMNA 1148/4885
US-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 MMP7 18/4885TSHR 2000/4885LMNA 3353/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 MMP7 18/4885TSHR 4551/4885LMNA 1250/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 MMP7 16/4885TSHR 4597/4885LMNA 1148/4885

“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.