SCHEMBL5437354

SCHEMBL5437354

CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc4[C@H]3OC(N)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.44
MMP8 P22894 10/20 0.43
MMP3 P08254 5/20 0.43
AKR1C3 P42330 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SLC9A3 P48764 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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
SCHEMBL5435855 0.92 TAS2R14 (0.51) MMP1TAS2R14MMP8MMP3ALDH1A1
SCHEMBL5448028 0.91 MMP1 (0.44) MMP1TAS2R14MMP8MMP3AKR1C3
SCHEMBL5439955 0.90 THRB (0.49) MMP1TAS2R14MMP8MMP3SMN1; SMN2
SCHEMBL5443161 0.90 THRB (0.49) MMP1TAS2R14MMP8MMP3SMN1; SMN2
SCHEMBL5430793 0.90 MMP8 (0.52) MMP1TAS2R14MMP8MMP3MAPT
SCHEMBL5435833 0.89 MMP1 (0.50) MMP1TAS2R14MMP8MMP3ALDH1A1
SCHEMBL5430809 0.89 MMP1 (0.50) MMP1TAS2R14MMP8MMP3ALDH1A1
SCHEMBL5439640 0.89 MMP1 (0.50) MMP1TAS2R14MMP8MMP3ALDH1A1
SCHEMBL5434348 0.89 MMP12 (0.39) MMP1TAS2R14MMP8MMP3AKR1C3
SCHEMBL5439664 0.89 MMP3 (0.43) MMP1TAS2R14MMP8MMP3AKR1C3

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 MMP1 8/4885TAS2R14 3811/4885MMP8 18/4885

“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.