SCHEMBL3534117

SCHEMBL3534117

CCN(CC)CCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(Oc3ccc(OC)cc3)cc1)C2(C(N)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MCHR1 Q99705 3/20 0.37
▸ LCK P06239 2/20 0.36
▸ SRC P12931 1/20 0.36
▸ CSK P41240 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ MMP15 P51511 1/20 0.36
▸ MMP16 P51512 1/20 0.36
▸ MMP26 Q9NRE1 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 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
SCHEMBL3535912 0.93 LSS (0.38) LCKSRCCSKPPARGPPARA
SCHEMBL3536043 0.85 MMP1 (0.44) MMP1MMP9MMP13MCHR1ALDH1A1
SCHEMBL3537912 0.83 PPARG (0.37) MMP1MMP13MMP2MMP7PPARG
SCHEMBL3538685 0.76 LCK (0.45) LCKALDH1A1CA1CA2CA7
SCHEMBL3537108 0.76 TBXAS1 (0.41) ALDH1A1KMT2A
SCHEMBL1023198 0.75 MMP1 (0.56) MMP1MMP9MMP13MMP2MMP7
SCHEMBL1023199 0.74 MMP1 (0.51) MMP1MMP9MMP13MMP2MMP7
SCHEMBL3534955 0.73 MMP1 (0.55) MMP1MMP9MMP13MMP2MMP7
SCHEMBL1020994 0.71 MMP1 (0.50) MMP1MMP9MMP13MMP2MMP7
SCHEMBL3534115 0.71 MMP1 (0.67) MMP1MMP9MMP13MMP2MMP7

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-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 9/4885MMP9 1/4885MMP13 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.

Send feedback