SCHEMBL12905441

SCHEMBL12905441

CN1CCN(C(=O)NS(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)c(Oc4ccc(Cl)cc4)c(F)c3)[C@@H](C(=O)ON)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.39
▸ MMP9 P14780 7/20 0.38
▸ MMP3 P08254 6/20 0.38
▸ MMP1 P03956 6/20 0.38
▸ MMP13 P45452 6/20 0.38
▸ MMP7 P09237 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MMP8 P22894 3/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14878470 0.92 CASP1 (0.40) CASP1MMP9MMP3MMP1MMP13
SCHEMBL12905430 0.92 ALDH1A1 (0.35) MMP9MMP3MMP1MMP13MMP7
SCHEMBL12905433 0.91 LMNA (0.39) MMP9MMP3MMP1MMP13MMP7
SCHEMBL778857 0.90 MMP1 (0.49) MMP9MMP3MMP1MMP13MMP7
SCHEMBL12905395 0.87 MMP1 (0.48) CASP1MMP9MMP3MMP1MMP13
SCHEMBL12905412 0.85 MMP9 (0.46) MMP9MMP3MMP1MMP13MMP7
SCHEMBL12905480 0.85 ALDH1A1 (0.37) MMP9MMP3MMP1MMP13MMP7
SCHEMBL14878442 0.84 MMP1 (0.36) MMP9MMP3MMP1MMP13MMP7
SCHEMBL12905401 0.84 MMP9 (0.38) CASP1MMP9MMP3MMP1MMP13
SCHEMBL12905432 0.83 ALDH1A1 (0.39) MMP9MMP3MMP1MMP13MMP7

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
US-8426415-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-04-23 — — US disclosed
US-20110003812-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-01-06 — — US disclosed
US-20110003812-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-01-06 — — 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-20110003812-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 CASP1 176/4885MMP9 12/4885MMP3 30/4885

“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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