SCHEMBL5437373

SCHEMBL5437373

NC(=O)OC1c2ccccc2CCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.42
MMP3 P08254 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
LIPE Q05469 1/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5430840 1.00 MMP8 (0.42) MMP8MMP3CHRM2CHRM4CHRM5
SCHEMBL5441239 0.93 MMP1 (0.41) MMP8MMP3CHRM4OPRM1OPRD1
SCHEMBL5441474 0.93 MMP1 (0.41) MMP8MMP3CHRM4OPRM1OPRD1
SCHEMBL5440459 0.93 MMP1 (0.41) MMP8MMP3CHRM4OPRM1OPRD1
SCHEMBL5435725 0.91 TAS2R14 (0.43) MMP3CHRM4OPRM1OPRD1OPRK1
SCHEMBL5165045 0.90 MMP1 (0.44) MMP8MMP3CHRM2CHRM4CHRM5
SCHEMBL5165142 0.90 MMP1 (0.44) MMP8MMP3CHRM2CHRM4CHRM5
SCHEMBL5445330 0.90 MMP1 (0.44) OPRM1OPRD1OPRK1MMP1LMNA
SCHEMBL5434027 0.90 MMP1 (0.44) OPRM1OPRD1OPRK1MMP1LMNA
SCHEMBL5435868 0.89 MMP8 (0.44) MMP8MMP3OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US claimed
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 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 (1 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-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS MMP9, MMP2, MMP3 MMP8 18/4885MMP3 3/4885CHRM2 2539/4885

“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.