SCHEMBL14427166

SCHEMBL14427166

O=C(NO)C1c2ccccc2CCN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 11/20 0.62
MMP12 P39900 9/20 0.62
MMP13 P45452 5/20 0.62
MMP1 P03956 6/20 0.53
MMP7 P09237 4/20 0.53
MMP3 P08254 4/20 0.53
MMP2 P08253 5/20 0.48
MMP9 P14780 5/20 0.48
MMP14 P50281 5/20 0.48
MMP15 P51511 5/20 0.48
MMP16 P51512 5/20 0.48
MMP26 Q9NRE1 4/20 0.48
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
FKBP1A P62942 2/20 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
SCHEMBL14427177 0.93 MMP8 (0.54) MMP8MMP12MMP13MMP1MMP7
SCHEMBL14427172 0.93 MMP8 (0.54) MMP8MMP12MMP13MMP1MMP7
SCHEMBL14427169 0.89 MMP8 (0.54) MMP8MMP12MMP13MMP1MMP7
SCHEMBL5430831 0.89 MMP12 (0.50) MMP8MMP12MMP13MMP1MMP7
SCHEMBL5165108 0.84 MMP8 (0.55) MMP8MMP12MMP13MMP1MMP7
SCHEMBL5163127 0.84 MMP8 (0.55) MMP8MMP12MMP13MMP1MMP7
SCHEMBL5160313 0.84 MMP8 (0.55) MMP8MMP12MMP13MMP1MMP7
SCHEMBL14427174 0.83 MMP8 (0.49) MMP8MMP12MMP13MMP1MMP7
SCHEMBL14427179 0.83 MMP8 (0.62) MMP8MMP12MMP13MMP1MMP7
SCHEMBL5449202 0.81 MMP1 (0.51) MMP8MMP12MMP13MMP1MMP7

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 18/4885MMP12 25/4885MMP13 17/4885

“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.