SCHEMBL5434029

SCHEMBL5434029

NC(=O)O[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.46
▸ THRB P10828 1/20 0.41
▸ MMP8 P22894 4/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ TAS2R14 Q9NYV8 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MMP2 P08253 3/20 0.38
▸ MMP7 P09237 3/20 0.38
▸ MMP9 P14780 3/20 0.38
▸ MMP12 P39900 3/20 0.38
▸ MMP14 P50281 3/20 0.38
▸ MMP15 P51511 3/20 0.38
▸ MMP16 P51512 3/20 0.38
▸ MMP26 Q9NRE1 3/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL5435926 0.94 MMP1 (0.46) MMP1THRBMMP8MMP3TAS2R14
SCHEMBL14427227 0.85 MMP1 (0.54) MMP1THRBMMP8MMP3TAS2R14
SCHEMBL5439930 0.84 MMP8 (0.44) MMP1THRBMMP8MMP3TAS2R14
SCHEMBL14427225 0.83 MMP1 (0.68) MMP1MMP8MMP3MMP2MMP7
SCHEMBL5431916 0.82 MMP8 (0.48) MMP1MMP8MMP3LIPEALDH1A1
SCHEMBL5439605 0.82 HTR6 (0.42) MMP1THRBMMP8MMP3TAS2R14
SCHEMBL5431774 0.82 HTR6 (0.42) MMP1THRBMMP8MMP3TAS2R14
SCHEMBL5439640 0.82 MMP1 (0.50) MMP1MMP8MMP3TAS2R14SMN1; SMN2
SCHEMBL3311307 0.82 HTR6 (0.42) MMP1THRBMMP8MMP3TAS2R14
SCHEMBL5435833 0.82 MMP1 (0.50) MMP1MMP8MMP3TAS2R14SMN1; SMN2

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 8/4885THRB 3838/4885MMP8 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.

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