SCHEMBL1023240

SCHEMBL1023240

O=C(NO)C1c2ccc(OCCN3CCOCC3)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.56
MMP12 P39900 12/20 0.56
MMP2 P08253 12/20 0.56
MMP9 P14780 12/20 0.56
MMP14 P50281 11/20 0.56
MMP15 P51511 11/20 0.56
MMP16 P51512 11/20 0.56
MMP26 Q9NRE1 10/20 0.56
MMP7 P09237 8/20 0.56
MMP3 P08254 2/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ADAM17 P78536 1/20 0.43
EPHX2 P34913 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
SCHEMBL1022551 0.92 MMP1 (0.58) MMP1MMP12MMP2MMP9MMP14
SCHEMBL1022529 0.91 ESR1 (0.47) MMP1MMP12MMP2MMP9MMP14
SCHEMBL3536835 0.91 MMP1 (0.47) MMP1MMP12MMP2MMP9MMP14
SCHEMBL12991157 0.88 MMP1 (0.57) MMP1MMP12MMP2MMP9MMP14
SCHEMBL1021934 0.88 EPHX2 (0.46) MMP1MMP12MMP2MMP9MMP14
SCHEMBL3537910 0.86 MMP1 (0.63) MMP1MMP12MMP2MMP9MMP14
SCHEMBL1022530 0.85 ESR1 (0.47) MMP1MMP12MMP2MMP9MMP14
SCHEMBL1019860 0.84 EPHX2 (0.46) MMP1MMP12MMP2MMP9MMP14
SCHEMBL3536039 0.84 MMP1 (0.67) MMP1MMP12MMP2MMP9MMP14
SCHEMBL1022410 0.84 MMP1 (0.54) MMP1MMP12MMP2MMP9MMP14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869001-B1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-7858619-B2 Substituted tetrahydroisochinolines as MMP inhibitors, related production method and use as medicine SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (FR) 2008-04-17 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-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE MMP9, MMP3, MMP2 MMP1 9/4885MMP12 24/4885MMP2 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.