SCHEMBL5458277

SCHEMBL5458277

CC(C)(C)N(C(=O)O)C1CSCCN(Cc2ccc3ccccc3c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.39
▸ SRC P12931 4/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ FAAH O00519 1/20 0.36

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
SCHEMBL5449462 0.85 ALDH1A1 (0.37) SRCKMT2AMEN1SIGMAR1DPP4
SCHEMBL5455919 0.82 SRC (0.34) SRC
SCHEMBL5452631 0.82 SRC (0.36) SRC
SCHEMBL4484988 0.76 SRC (0.55) MMP13SRCSIGMAR1MCHR1
SCHEMBL5464440 0.75 — —
SCHEMBL5221831 0.75 AADAT (0.43) MMP13SRCKMT2ADPP4HDAC1
SCHEMBL13818410 0.75 SRC (0.49) SRC
Hydrochloric Acid SCHEMBL4494736 0.74 AADAT (0.43) MMP13SRCKMT2ADPP4HDAC1
SCHEMBL5464431 0.73 KDM4E (0.32) —
SCHEMBL4125301 0.73 ACHE (0.57) KMT2AMEN1SIGMAR1MCHR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-18 — — 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-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF HCCS, ALKBH2, ALKBH3 MMP13 2248/4885SRC 716/4885KMT2A 203/4885

“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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