SCHEMBL5437203

SCHEMBL5437203

Cc1ccc(F)c2c1CCN(S(=O)(=O)c1ccc(Oc3ccc(F)cc3)cc1)[C@@H]2OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.41
ADAM17 P78536 3/20 0.41
MMP3 P08254 3/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 2/20 0.41
MMP7 P09237 3/20 0.40
MMP13 P45452 4/20 0.39
THRB P10828 1/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
LMNA P02545 3/20 0.35
GLA P06280 1/20 0.35
SOS1 Q07889 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL5439927 1.00 MMP1 (0.41) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5439717 1.00 MMP1 (0.41) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5437193 0.94 MMP8 (0.41) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5439634 0.94 MMP8 (0.41) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5435633 0.94 MMP8 (0.41) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5441314 0.92 MMP1 (0.41) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5164121 0.89 MMP1 (0.46) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5160057 0.89 MMP1 (0.46) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5161051 0.89 MMP1 (0.46) MMP1ADAM17MMP3MMP2MMP9
SCHEMBL5441525 0.86 PSEN1 (0.38) MMP3HCRTR1HCRTR2TSHRALDH1A1

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 8/4885ADAM17 20/4885MMP3 3/4885

“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.