SCHEMBL5449462

SCHEMBL5449462

CC(C)(C)N(C(=O)O)C1CSCCN(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ SRC P12931 5/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 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
SCHEMBL5452631 0.87 SRC (0.36) SRC
SCHEMBL5458277 0.85 MMP13 (0.39) SIGMAR1DPP4SRCMEN1KMT2A
SCHEMBL5455919 0.81 SRC (0.34) SRC
SCHEMBL5464440 0.76 — —
SCHEMBL5217351 0.76 SRC (0.48) ALDH1A1TSHRL3MBTL1SIGMAR1SRC
SCHEMBL5310594 0.75 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1KDM4EDPP4
SCHEMBL13818391 0.74 SRC (0.47) ALDH1A1SRC
SCHEMBL5464431 0.74 KDM4E (0.32) KDM4E
Hydrochloric Acid SCHEMBL4494597 0.74 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1KDM4EDPP4
SCHEMBL16874569 0.70 LMNA (0.46) ALDH1A1L3MBTL1KDM4ERAB9ASIGMAR1

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 ALDH1A1 324/4885TSHR 4201/4885L3MBTL1 3909/4885

“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