SCHEMBL5455760

SCHEMBL5455760

CCCCOc1ccc(CN2CCSCC(N(C(=O)O)C(C)(C)C)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 11/20 0.42
▸ S1PR1 P21453 6/20 0.42
▸ S1PR3 Q99500 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SRC P12931 2/20 0.40
▸ TSHR P16473 1/20 0.38

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
SCHEMBL5458277 0.81 MMP13 (0.39) MEN1KMT2ASRC
SCHEMBL4488508 0.79 SRC (0.54) S1PR5S1PR1S1PR3ALDH1A1MEN1
SCHEMBL5452631 0.78 SRC (0.36) SRC
SCHEMBL5217735 0.78 TSHR (0.49) S1PR5S1PR1S1PR3ALDH1A1MEN1
SCHEMBL13818401 0.77 SRC (0.49) S1PR5S1PR1S1PR3ALDH1A1MEN1
Hydrochloric Acid SCHEMBL4494354 0.77 TSHR (0.48) S1PR5S1PR1S1PR3ALDH1A1MEN1
SCHEMBL4481471 0.68 METAP1 (0.45) SRC
SCHEMBL13818446 0.68 METAP1 (0.45) SRC
SCHEMBL16874568 0.68 LMNA (0.46) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL13951565 0.64 TSHR (0.54) S1PR5S1PR1ALDH1A1MEN1CYP2D6

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 S1PR5 198/4885S1PR1 575/4885S1PR3 142/4885

“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