SCHEMBL5434858

SCHEMBL5434858

N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc4C3OC(N)=O)cn2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.39
▸ OPRM1 P35372 7/20 0.38
▸ OPRK1 P41145 6/20 0.38
▸ OPRD1 P41143 6/20 0.38
▸ SLC22A12 Q96S37 3/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ UCHL1 P09936 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34

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
SCHEMBL5160257 0.91 MMP1 (0.41) TRPV4OPRM1OPRK1OPRD1SLC22A12
SCHEMBL14427270 0.88 MMP1 (0.43) TRPV4OPRM1OPRK1OPRD1SLC22A12
SCHEMBL5435868 0.87 MMP8 (0.44) OPRM1OPRK1OPRD1MMP1HRH3
SCHEMBL14427268 0.85 MMP1 (0.54) TRPV4SLC22A12MMP1
SCHEMBL5441474 0.84 MMP1 (0.41) OPRM1OPRK1OPRD1MMP1USP2
SCHEMBL5441239 0.84 MMP1 (0.41) OPRM1OPRK1OPRD1MMP1USP2
SCHEMBL5440459 0.84 MMP1 (0.41) OPRM1OPRK1OPRD1MMP1USP2
SCHEMBL5435725 0.83 TAS2R14 (0.43) OPRM1OPRK1OPRD1MMP1USP2
SCHEMBL5430840 0.83 MMP8 (0.42) OPRM1OPRK1OPRD1MMP1HRH3
SCHEMBL5437373 0.83 MMP8 (0.42) OPRM1OPRK1OPRD1MMP1HRH3

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 TRPV4 1913/4885OPRM1 1548/4885OPRK1 1834/4885

“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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