SCHEMBL14427204

SCHEMBL14427204

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 8/20 0.54
▸ MMP3 P08254 4/20 0.54
▸ MMP1 P03956 4/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP9 P14780 3/20 0.50
▸ MMP12 P39900 3/20 0.50
▸ MMP14 P50281 3/20 0.50
▸ MMP15 P51511 3/20 0.50
▸ MMP16 P51512 3/20 0.50
▸ MMP26 Q9NRE1 3/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL14427181 0.90 MMP8 (0.56) MMP8MMP3MMP1MMP2MMP9
SCHEMBL14427202 0.88 MMP12 (0.64) MMP8MMP3MMP1MMP2MMP9
SCHEMBL14427219 0.82 MMP8 (0.53) MMP8MMP3MMP1MMP2MMP9
SCHEMBL12215822 0.82 MMP8 (0.42) MMP8MMP3MMP1MMP2MMP9
SCHEMBL5163173 0.82 PKM (0.55) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427179 0.81 MMP8 (0.62) MMP8MMP3MMP1MMP2MMP9
SCHEMBL5431916 0.81 MMP8 (0.48) MMP8MMP3MMP1AKR1C3POLB
SCHEMBL14427256 0.81 MMP1 (0.46) MMP8MMP3MMP1MMP2MMP9
SCHEMBL14427283 0.81 MMP1 (0.46) MMP8MMP3MMP1MMP2MMP9
SCHEMBL14427201 0.81 MEN1 (0.55) MMP1MMP2MMP9MMP12MMP14

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 disclosed
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 3/4885MMP1 8/4885

“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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