SCHEMBL5435855

SCHEMBL5435855

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc4[C@H]3OC(N)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.51
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MMP1 P03956 9/20 0.47
MMP9 P14780 7/20 0.47
MMP2 P08253 4/20 0.47
MMP12 P39900 3/20 0.47
MMP14 P50281 3/20 0.47
MMP15 P51511 3/20 0.47
MMP16 P51512 3/20 0.47
MMP26 Q9NRE1 3/20 0.47
MMP7 P09237 5/20 0.47
MMP3 P08254 6/20 0.45
MAPT P10636 1/20 0.44
MMP13 P45452 2/20 0.44
TUBB4A P04350 1/20 0.43

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
SCHEMBL5437354 0.92 MMP1 (0.46) TAS2R14ALDH1A1USP2LMNAGAA
SCHEMBL5448028 0.91 MMP1 (0.44) TAS2R14ALDH1A1LMNAMMP1MMP9
SCHEMBL4692409 0.91 TAS2R14 (0.54) TAS2R14ALDH1A1USP2LMNAGAA
SCHEMBL5439955 0.90 THRB (0.49) TAS2R14MMP1MMP9MMP2MMP7
SCHEMBL5430793 0.90 MMP8 (0.52) TAS2R14MMP1MMP9MMP2MMP12
SCHEMBL5443161 0.90 THRB (0.49) TAS2R14MMP1MMP9MMP2MMP7
SCHEMBL5435833 0.89 MMP1 (0.50) TAS2R14ALDH1A1LMNAMMP1MMP9
SCHEMBL5430809 0.89 MMP1 (0.50) TAS2R14ALDH1A1LMNAMMP1MMP9
SCHEMBL5439640 0.89 MMP1 (0.50) TAS2R14ALDH1A1LMNAMMP1MMP9
SCHEMBL5435725 0.89 TAS2R14 (0.43) TAS2R14ALDH1A1USP2LMNAGAA

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 TAS2R14 3811/4885ALDH1A1 249/4885USP2 3571/4885

“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.