SCHEMBL629933

SCHEMBL629933

CCCCS(=O)(=O)S(=O)(=O)C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.36
CA2 P00918 6/20 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
SCHEMBL10944032 0.91 TP53 (0.35) TP53CA2FAAH
SCHEMBL10946946 0.91 TP53 (0.35) TP53
SCHEMBL10943832 0.88 CA2 (0.36) TP53CA2FAAH
SCHEMBL10949491 0.88 CA2 (0.36) TP53CA2FAAH
SCHEMBL6312594 0.81 TP53 (0.39) TP53NPC1S1PR2S1PR4ALDH1A1
SCHEMBL2306255 0.76 CA2 (0.47) TP53NPC1S1PR2S1PR4ALDH1A1
SCHEMBL516159 0.74 TP53 (0.39) TP53OPRM1
SCHEMBL7515914 0.71 TP53 (0.31) TP53
SCHEMBL9193536 0.70 CA2 (0.41) TP53NPC1S1PR2S1PR4ALDH1A1
SCHEMBL10944845 0.69 FAAH (0.55) TP53NPC1S1PR2S1PR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168638-B2 Pyrazinecarboxamide derivatives and plant disease controlling agents containing the same NIHON NOHYAKU CO., LTD. (JP) 2012-05-01 US disclosed
EP-1963286-B1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME NIHON NOHYAKU CO LTD (JP) 2012-02-22 EP disclosed
US-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same NIHON NOHYAKU CO., LTD. (JP) 2009-09-17 US disclosed
EP-1963286-A1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME Nihon Nohyaku Co., Ltd. (JP) 2008-09-03 EP disclosed
WO-2007072999-A1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME NIHON NOHYAKU CO., LTD (JP) 2007-06-28 WO disclosed
EP-0065730-B1 9-THIOMAYTANSINOIDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-09-10 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-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same CBR3, CNPY2, AADAC TP53 3722/4885NPC1 1151/4885S1PR2 759/4885

“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.