SCHEMBL17030221

SCHEMBL17030221

N=C(N)NCSCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
BHMT Q93088 2/20 0.39
LMNA P02545 4/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CYP1A2 P05177 2/20 0.35
BLM P54132 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35
THRB P10828 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL17030163 0.95 BHMT (0.45) TSHRBHMTLMNAKMT2AHSD17B10
SCHEMBL17030027 0.89 LMNA (0.50) TSHRBHMTLMNAKMT2AHSD17B10
SCHEMBL17030149 0.84 TSHR (0.46) TSHRBHMTLMNAKMT2AHSD17B10
SCHEMBL17030156 0.76 KMT2A (0.50) TSHRBHMTLMNAKMT2AHSD17B10
SCHEMBL17030053 0.75 TSHR (0.32) TSHR
SCHEMBL33717 0.74 PRMT1 (0.50) TSHRLMNAKMT2ASLC22A6CYP1A2
SCHEMBL31372702 0.74 PRMT1 (0.50) TSHRLMNAKMT2ASLC22A6CYP1A2
SCHEMBL98206 0.73 TSHR (0.60) TSHRBHMTLMNAKMT2AHSD17B10
SCHEMBL2107302 0.72 PRMT1 (0.59) TSHRLMNAKMT2ACYP1A2BLM
Hydrochloric Acid SCHEMBL8613561 0.72 PRMT1 (0.48) TSHRLMNAKMT2ASLC22A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 1281/4885BHMT 1656/4885LMNA 4535/4885

“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.