SCHEMBL17029985

SCHEMBL17029985

N=C(N)NCCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL17030040 0.87 MEN1 (0.41) THRBMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL4770737 0.84 THRB (0.39) THRBMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL4572769 0.77 THRB (0.40) THRBMEN1KMT2AALDH1A1LMNA
SCHEMBL9772233 0.77 ALOX15 (0.33) MEN1CYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17030089 0.76
SCHEMBL4631299 0.76
SCHEMBL17030142 0.76 TSHR (0.41) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL17022784 0.74 LMNA (0.36) THRBALDH1A1LMNA
Hydrochloric Acid SCHEMBL27882889 0.74 LMNA (0.36) THRBALDH1A1LMNA
SCHEMBL1025215 0.74

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
EP-3284482-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS Arbutus Biopharma Corporation (CA) 2018-02-21 EP disclosed
US-20150250217-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD NISSAN FOODS HOLDINGS CO., LTD. (JP) 2015-09-10 US disclosed
EP-2910130-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD Nissin Foods Holdings Co., Ltd. (JP) 2015-08-26 EP 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-20150250217-A1 SALTY TASTE-ENHANCING AGENT AND MANUFACTURING METHOD THEREFOR, AND SALTY TASTE-ENHANCING METHOD TAS2R8, TAS2R13, TAS2R38 THRB 960/4885MEN1 957/4885CYP1A2 4676/4885

“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.